| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-05-07 20:25:05 UTC |
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| Update date | 2019-11-26 03:21:56 UTC |
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| Primary ID | FDB030887 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | geranylgeranyl-chlorophyll b |
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| Description | geranylgeranyl-chlorophyll b is possibly neutral. geranylgeranyl-chlorophyll b has been detected, but not quantified in, several different foods, such as cereals and cereal products, skunk currants, wild celeries, new zealand spinachs, and peanuts. This could make geranylgeranyl-chlorophyll b a potential biomarker for the consumption of these foods. |
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| CAS Number | Not Available |
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| Structure | |
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| Synonyms | |
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| Predicted Properties | |
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| Chemical Formula | C55H64MgN4O6 |
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| IUPAC name | methyl 17-ethenyl-12-ethyl-13-formyl-8,18,22-trimethyl-6-oxo-23-{3-oxo-3-[(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl)oxy]propyl}-2,25λ⁴,26λ⁴,27-tetraaza-1-magnesanonacyclo[12.11.1.1¹,¹⁶.0²,⁹.0³,⁷.0⁴,²⁴.0¹¹,²⁶.0²¹,²⁵.0¹⁹,²⁷]heptacosa-3,7,9,11(26),12,14,16,18,20,24-decaene-5-carboxylate |
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| InChI Identifier | InChI=1S/C55H65N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,17,19,21,25,27-30,36,40,51H,1,13-16,18,20,22-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1 |
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| InChI Key | BZTAESNMEJBNFU-UHFFFAOYSA-M |
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| Isomeric SMILES | CCC1=C(C=O)C2=CC3=C(C=C)C(C)=C4C=C5C(C)C(CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C6=[N]5[Mg]5(N34)N3C(=CC1=[N]25)C(C)=C1C(=O)C(C(=O)OC)C6=C31 |
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| Average Molecular Weight | 901.444 |
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| Monoisotopic Molecular Weight | 900.4676275 |
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| Classification |
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| Classification | Not classified |
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| Ontology |
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| Ontology | No ontology term |
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| Physico-Chemical Properties |
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| Physico-Chemical Properties - Experimental | |
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| Spectra |
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| Spectra | Not Available |
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| External Links |
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| ChemSpider ID | Not Available |
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| ChEMBL ID | Not Available |
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| KEGG Compound ID | Not Available |
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| Pubchem Compound ID | Not Available |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | Not Available |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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| EAFUS ID | Not Available |
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| Dr. Duke ID | Not Available |
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| BIGG ID | Not Available |
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| KNApSAcK ID | Not Available |
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| HET ID | Not Available |
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| Food Biomarker Ontology | Not Available |
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| VMH ID | Not Available |
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| Flavornet ID | Not Available |
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| GoodScent ID | Not Available |
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| SuperScent ID | Not Available |
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| Wikipedia ID | Not Available |
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| Phenol-Explorer Metabolite ID | Not Available |
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| Duplicate IDS | Not Available |
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| Old DFC IDS | Not Available |
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| Associated Foods |
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| Biological Effects and Interactions |
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| Health Effects / Bioactivities | Not Available |
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| Enzymes | Not Available |
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| Pathways | Not Available |
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| Metabolism | Not Available |
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| Biosynthesis | Not Available |
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| Organoleptic Properties |
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| Flavours | Not Available |
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| Files |
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| MSDS | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| General Reference | Not Available |
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| Content Reference | |
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