<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:13:37 UTC</creation_date>
  <update_date>2019-11-26 03:15:59 UTC</update_date>
  <accession>FDB018293</accession>
  <name>3-O-beta-D-Galactopyranosyl-L-arabinose</name>
  <description>Isolated from partial acid hydrolysates of Aegle marmelos gum (bael fruit) and from the mucilage of Opuntia ficus-indica (Indian fig). 3-O-beta-D-Galactopyranosyl-L-arabinose is found in fruits.</description>
  <synonyms>
    <synonym>2-Methyl-3-(2-methylphenyl)-4-quinazolinone</synonym>
    <synonym>2-Methyl-3-(2-methylphenyl)-4(3H)-quinazolinone</synonym>
    <synonym>2-Methyl-3-(2-methylphenyl)quinazolin-4-one</synonym>
    <synonym>2-Methyl-3-(2-methylphenyl)quinazolin-4(3H)-one</synonym>
    <synonym>2-Methyl-3-(2-tolyl)quinazol-4-one</synonym>
    <synonym>2-Methyl-3-(O-tolyl)-3,4-dihydro-4-quinazolinone</synonym>
    <synonym>2-Methyl-3-(O-tolyl)-4-quinazolone hydrochloride</synonym>
    <synonym>2-Methyl-3-(O-tolyl)-4(3H)-quinazolinone hydrochloride</synonym>
    <synonym>2-Methyl-3-O--tolyl-4(3H)-quinazolinone</synonym>
    <synonym>2-Methyl-3-O-tolyl-3H-quinazolin-4-one</synonym>
    <synonym>2-Methyl-3-O-tolyl-4 (3H)-chinazolinon</synonym>
    <synonym>2-Methyl-3-O-tolyl-4-quinazolone</synonym>
    <synonym>2-Methyl-3-O-tolyl-4(3H)-chinazolinon</synonym>
    <synonym>2-Methyl-3-O-tolyl-4(3H)-chinazolone</synonym>
    <synonym>2-Methyl-3-O-tolyl-4(3H)-quinazolinone</synonym>
    <synonym>2-Methyl-3-tolyl-4-oxybensdiazine</synonym>
    <synonym>2-Methyl-3-tolylchinazolon-4 hydrochloride</synonym>
    <synonym>3,4-dihydro-2-Methyl-4-oxo-3-O-tolylquinazoline</synonym>
    <synonym>Aqual</synonym>
    <synonym>Cateudyl</synonym>
    <synonym>Citexal</synonym>
    <synonym>Diamthazole dihydrochloride</synonym>
    <synonym>Dormigoa</synonym>
    <synonym>Dormigoa-schlafmittel</synonym>
    <synonym>Dormogen</synonym>
    <synonym>Dormutil</synonym>
    <synonym>Dorsedin</synonym>
    <synonym>Fadormir</synonym>
    <synonym>Holodorm</synonym>
    <synonym>Hyminal</synonym>
    <synonym>Hypocol</synonym>
    <synonym>Hyptor</synonym>
    <synonym>Hyptor base</synonym>
    <synonym>Ipnofil</synonym>
    <synonym>MAOA</synonym>
    <synonym>Melsed</synonym>
    <synonym>Melsedin base</synonym>
    <synonym>Melsomin</synonym>
    <synonym>Mequin</synonym>
    <synonym>Metachalon</synonym>
    <synonym>Metacualona</synonym>
    <synonym>Metakvalon</synonym>
    <synonym>Metaqualon</synonym>
    <synonym>Metaqualone</synonym>
    <synonym>Methachalonum</synonym>
    <synonym>Methaqualon</synonym>
    <synonym>Methaqualone</synonym>
    <synonym>Methaqualone hydrochloride</synonym>
    <synonym>Methaqualoneinone</synonym>
    <synonym>Methaqualonum</synonym>
    <synonym>Methased</synonym>
    <synonym>Methyl-O-tolylquinazolone</synonym>
    <synonym>Methylquinazolone hydrochloride</synonym>
    <synonym>Metolquizolone</synonym>
    <synonym>Mollinox</synonym>
    <synonym>Motolon</synonym>
    <synonym>Mozambin</synonym>
    <synonym>MTQ</synonym>
    <synonym>MTQ hydrochloride</synonym>
    <synonym>Nethaqualone</synonym>
    <synonym>Nobedorm</synonym>
    <synonym>Noctilene</synonym>
    <synonym>Normi-nox</synonym>
    <synonym>Omnyl</synonym>
    <synonym>Optinoxan</synonym>
    <synonym>Orthonal</synonym>
    <synonym>Ortonal</synonym>
    <synonym>Parminal</synonym>
    <synonym>Pro-dorm</synonym>
    <synonym>Qu.lovin.a.lovin.alude</synonym>
    <synonym>Quaalude</synonym>
    <synonym>Revonal</synonym>
    <synonym>Rorer 148</synonym>
    <synonym>Rorer 714</synonym>
    <synonym>Roulone</synonym>
    <synonym>Rouqualone</synonym>
    <synonym>Sindesvel</synonym>
    <synonym>Somberol</synonym>
    <synonym>Somnafac</synonym>
    <synonym>Somnomed</synonym>
    <synonym>Sonal</synonym>
    <synonym>Sopor</synonym>
    <synonym>Soverin</synonym>
    <synonym>Torinal</synonym>
    <synonym>Tuazole</synonym>
    <synonym>Tuazolone</synonym>
  </synonyms>
  <chemical_formula>C11H20O10</chemical_formula>
  <average_molecular_weight>312.2705</average_molecular_weight>
  <monisotopic_moleculate_weight>312.10564686</monisotopic_moleculate_weight>
  <iupac_name>(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(3R,4S,5S)-2,3,5-trihydroxyoxan-4-yl]oxy}oxane-3,4,5-triol</iupac_name>
  <traditional_iupac>(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(3R,4S,5S)-2,3,5-trihydroxyoxan-4-yl]oxy}oxane-3,4,5-triol</traditional_iupac>
  <cas_registry_number>6055-00-1</cas_registry_number>
  <smiles>OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)COC(O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O</smiles>
  <inchi>InChI=1S/C11H20O10/c12-1-4-5(14)6(15)7(16)11(20-4)21-9-3(13)2-19-10(18)8(9)17/h3-18H,1-2H2/t3-,4+,5-,6-,7+,8+,9-,10?,11-/m0/s1</inchi>
  <inchikey>XSXQXHMPBBNYRD-ANYLNHRWSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.</description>
    <direct_parent>O-glycosyl compounds</direct_parent>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic oxygen compounds</super_class>
    <class>Organooxygen compounds</class>
    <sub_class>Carbohydrates and carbohydrate conjugates</sub_class>
    <molecular_framework>Aliphatic heteromonocyclic compounds</molecular_framework>
    <alternative_parents>
      <alternative_parent>Acetals</alternative_parent>
      <alternative_parent>Alpha-hydroxyaldehydes</alternative_parent>
      <alternative_parent>Disaccharides</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Oxacyclic compounds</alternative_parent>
      <alternative_parent>Oxanes</alternative_parent>
      <alternative_parent>Polyols</alternative_parent>
      <alternative_parent>Primary alcohols</alternative_parent>
      <alternative_parent>Secondary alcohols</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Acetal</substituent>
      <substituent>Alcohol</substituent>
      <substituent>Aldehyde</substituent>
      <substituent>Aliphatic heteromonocyclic compound</substituent>
      <substituent>Alpha-hydroxyaldehyde</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Disaccharide</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>O-glycosyl compound</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organoheterocyclic compound</substituent>
      <substituent>Oxacycle</substituent>
      <substituent>Oxane</substituent>
      <substituent>Polyol</substituent>
      <substituent>Primary alcohol</substituent>
      <substituent>Secondary alcohol</substituent>
    </substituents>
    <external_descriptors>
      <external_descriptor>disaccharide</external_descriptor>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-2.96</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>0.29</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>6.12e+02 g/l</value>
      <source>ALOGPS</source>
    </property>
  </predicted_properties>
  <experimental_properties>
    <property>
      <kind>melting_point</kind>
      <value>Mp 202-204° (192-194°)</value>
    </property>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>-4.1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>11.27</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_basic</kind>
    <value>-3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(3R,4S,5S)-2,3,5-trihydroxyoxan-4-yl]oxy}oxane-3,4,5-triol</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>312.2705</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>312.10564686</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)COC(O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C11H20O10</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C11H20O10/c12-1-4-5(14)6(15)7(16)11(20-4)21-9-3(13)2-19-10(18)8(9)17/h3-18H,1-2H2/t3-,4+,5-,6-,7+,8+,9-,10?,11-/m0/s1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>XSXQXHMPBBNYRD-ANYLNHRWSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>169.3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>62.37</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>28.1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>10</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>7</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>physiological_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>15663</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>46103</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>147173</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>147175</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>147177</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>147179</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>147181</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>147183</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>147185</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>147187</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>147190</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>147191</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>147193</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>147196</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>147198</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>147200</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>147202</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>147204</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>147206</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>147208</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>153772</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>279588</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>29622</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>29623</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>29624</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>29625</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>29626</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>29627</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>29628</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>29629</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>29630</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>29631</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>29632</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>29633</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>29634</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>29635</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>29636</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>29637</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>29638</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>29639</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>29640</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>29641</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>76362</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>76363</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>76364</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>136176</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>136177</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>136178</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2335882</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2335883</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2335884</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2629403</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2629404</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2629405</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id>HMDB38854</hmdb_id>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id/>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
    <reference>#&lt;Reference:0x000055ce2eced7c0&gt;</reference>
  </general_references>
  <foods>
    <food>
      <name>Fruits</name>
      <food_type>Unknown</food_type>
      <category>generic</category>
      <name_scientific/>
      <ncbi_taxonomy_id/>
    </food>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
