CHEBI:70456 - 2''',5'''-diepisilvestrol

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ChEBI Name 2''',5'''-diepisilvestrol
ChEBI ID CHEBI:70456
Definition A natural product found in Aglaia foveolata.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C34H38O13
Net Charge 0
Average Mass 654.65770
Monoisotopic Mass 654.23124
InChI InChI=1S/C34H38O13/c1-40-20-12-10-19(11-13-20)34-27(18-8-6-5-7-9-18)26(30(38)42-3)29(37)33(34,39)28-23(41-2)14-21(15-24(28)47-34)45-32-31(43-4)44-17-25(46-32)22(36)16-35/h5-15,22,25-27,29,31-32,35-37,39H,16-17H2,1-4H3/t22-,25+,26+,27+,29+,31-,32+,33-,34-/m0/s1
InChIKey GVKXFVCXBFGBCD-CABMIHONSA-N
SMILES [H][C@@]1(CO[C@H](OC)[C@H](Oc2cc(OC)c3c(O[C@]4([C@@H]([C@H]([C@@H](O)[C@@]34O)C(=O)OC)c3ccccc3)c3ccc(OC)cc3)c2)O1)[C@@H](O)CO
Metabolite of Species Details
Aglaia foveolata (IPNI:968391-1) Found in stem (BTO:0001300). Previous component: stem bark; Methanolic extract of dried stem bark See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via flavagline )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2''',5'''-diepisilvestrol (CHEBI:70456) has role metabolite (CHEBI:25212)
2''',5'''-diepisilvestrol (CHEBI:70456) is a flavagline (CHEBI:71504)
Citation Waiting for Citations Type Source
20939540 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:benzofurans(CHEBI:35259); ISA:stilbenoid(CHEBI:26776); ISA:methoxybenzene(CHEBI:51683); ISA:3-hydroxy carboxylic acid(CHEBI:61355); ISA:aromatic ether(CHEBI:35618); ISA:dioxanes(CHEBI:46926); ISA:carboxylic ester(CHEBI:33308); ISA:tertiary alcohol(CHEBI:26878); ISA:organic hydroxy compound(CHEBI:33822); ISA:polyol(CHEBI:26191); ISA:secondary alcohol(CHEBI:35681); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352); ISA:acetal(CHEBI:59769); ISA:primary alcohol(CHEBI:15734); ISA:carbonyl compound(CHEBI:36586);