1.0 2010-04-08 22:10:19 UTC 2019-11-26 03:07:26 UTC FDB012711 Norbadione A Metabolite of Xerocomus badius (kostanjevka). Norbadione A is found in mushrooms. Pulvinic acid derivative C35H18O15 678.5084 678.064569906 2-[(2Z)-4-{6-[(5Z)-5-[carboxy(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxo-2,5-dihydrofuran-3-yl]-11-hydroxy-3-oxo-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),4,6,8(12),9-pentaen-9-yl}-3-hydroxy-5-oxo-2,5-dihydrofuran-2-ylidene]-2-(4-hydroxyphenyl)acetic acid [(2Z)-4-{6-[(5Z)-5-[carboxy(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxofuran-3-yl]-11-hydroxy-3-oxo-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),4,6,8(12),9-pentaen-9-yl}-3-hydroxy-5-oxofuran-2-ylidene](4-hydroxyphenyl)acetic acid OC(=O)C(=C1/OC(=O)C(=C1O)C1=CC2=C3C(OC(=O)C3=C1)=C(O)C=C2C1=C(O)\C(OC1=O)=C(\C(O)=O)C1=CC=C(O)C=C1)\C1=CC=C(O)C=C1 InChI=1S/C35H18O15/c36-15-5-1-12(2-6-15)22(31(41)42)29-26(39)21(34(46)49-29)14-9-17-18(11-20(38)28-24(17)19(10-14)33(45)48-28)25-27(40)30(50-35(25)47)23(32(43)44)13-3-7-16(37)8-4-13/h1-11,36-40H,(H,41,42)(H,43,44)/b29-22-,30-23- NEAFOYGNZAYARY-TVUQKFFQSA-N belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups. Pentacarboxylic acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Pentacarboxylic acids and derivatives Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Butenolides Carbonyl compounds Carboxylic acids Enoate esters Enol esters Enols Hydrocarbon derivatives Lactones Naphthols and derivatives Organic oxides Oxacyclic compounds Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 2-furanone 2-naphthol Alpha,beta-unsaturated carboxylic ester Aromatic heteropolycyclic compound Benzenoid Carbonyl group Carboxylic acid Carboxylic acid ester Dihydrofuran Enoate ester Enol Enol ester Hydrocarbon derivative Lactone Monocyclic benzene moiety Naphthalene Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pentacarboxylic acid or derivatives Phenol Vinylogous acid logp 3.07 ALOGPS logs -4.77 ALOGPS solubility 1.15e-02 g/l ALOGPS melting_point Mp 300° logp 3.94 ChemAxon pka_strongest_acidic 2.15 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 2-[(2Z)-4-{6-[(5Z)-5-[carboxy(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxo-2,5-dihydrofuran-3-yl]-11-hydroxy-3-oxo-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),4,6,8(12),9-pentaen-9-yl}-3-hydroxy-5-oxo-2,5-dihydrofuran-2-ylidene]-2-(4-hydroxyphenyl)acetic acid ChemAxon average_mass 678.5084 ChemAxon mono_mass 678.064569906 ChemAxon smiles OC(=O)C(=C1/OC(=O)C(=C1O)C1=CC2=C3C(OC(=O)C3=C1)=C(O)C=C2C1=C(O)\C(OC1=O)=C(\C(O)=O)C1=CC=C(O)C=C1)\C1=CC=C(O)C=C1 ChemAxon formula C35H18O15 ChemAxon inchi InChI=1S/C35H18O15/c36-15-5-1-12(2-6-15)22(31(41)42)29-26(39)21(34(46)49-29)14-9-17-18(11-20(38)28-24(17)19(10-14)33(45)48-28)25-27(40)30(50-35(25)47)23(32(43)44)13-3-7-16(37)8-4-13/h1-11,36-40H,(H,41,42)(H,43,44)/b29-22-,30-23- ChemAxon inchikey NEAFOYGNZAYARY-TVUQKFFQSA-N ChemAxon polar_surface_area 254.65 ChemAxon refractivity 170.32 ChemAxon polarizability 64.57 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 12 ChemAxon donor_count 7 ChemAxon physiological_charge -4 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 109128 Specdb::MsMs 109129 Specdb::MsMs 109130 Specdb::MsMs 176523 Specdb::MsMs 176524 Specdb::MsMs 176525 Specdb::MsMs 2266776 Specdb::MsMs 2266777 Specdb::MsMs 2266778 Specdb::MsMs 3076065 Specdb::MsMs 3076066 Specdb::MsMs 3076067 Specdb::CMs 26330 Specdb::CMs 720307 Specdb::CMs 720308 Specdb::CMs 720309 Specdb::CMs 720310 Specdb::CMs 720311 Specdb::CMs 720312 Specdb::CMs 720313 Specdb::CMs 720314 Specdb::CMs 720315 Specdb::CMs 720316 Specdb::CMs 720317 Specdb::CMs 720318 Specdb::CMs 720319 Specdb::CMs 720320 Specdb::CMs 720321 Specdb::CMs 720322 Specdb::CMs 720323 Specdb::CMs 720324 Specdb::CMs 720325 Specdb::CMs 720326 Specdb::CMs 720327 Specdb::CMs 720328 Specdb::CMs 720329 Specdb::CMs 720330 HMDB34350 #<Reference:0x000055ce3249aad8> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322