CHEBI:70674 - erythro-carolignan E

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ChEBI Name erythro-carolignan E
ChEBI ID CHEBI:70674
Definition A natural product found in Durio carinatus.
Stars This entity has been manually annotated by a third party.
Supplier Information ZINC000085865467
Download Molfile XML SDF
Formula C40H42O13
Net Charge 0
Average Mass 730.75370
Monoisotopic Mass 730.26254
InChI InChI=1S/C40H42O13/c1-47-33-20-26(7-13-29(33)41)10-17-38(44)51-19-5-6-25-9-16-32(36(22-25)50-4)53-37(40(46)28-12-15-31(43)35(23-28)49-3)24-52-39(45)18-11-27-8-14-30(42)34(21-27)48-2/h7-18,20-23,37,40-43,46H,5-6,19,24H2,1-4H3/b17-10+,18-11+/t37-,40+/m0/s1
InChIKey CXFBVHGWTGTGBR-MOLXBTQUSA-N
SMILES COc1cc(\C=C\C(=O)OCCCc2ccc(O[C@@H](COC(=O)\C=C\c3ccc(O)c(OC)c3)[C@H](O)c3ccc(O)c(OC)c3)c(OC)c2)ccc1O
Metabolite of Species Details
Durio carinatus (NCBI:txid140961) Found in stem (BTO:0001300). Previous component: stem bark; Methanol-soluble extract of macerated, powdered stem bark See: DOI
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing erythro-carolignan E (CHEBI:70674) has role metabolite (CHEBI:25212)
erythro-carolignan E (CHEBI:70674) is a phenylpropanoid (CHEBI:26004)
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:cinnamate ester(CHEBI:36087); ISA:hydroxycinnamic acid(CHEBI:24689); ISA:phenols(CHEBI:33853); ISA:methoxybenzene(CHEBI:51683); ISA:olefinic compound(CHEBI:78840); ISA:styrenes(CHEBI:26799); ISA:aromatic ether(CHEBI:35618); ISA:fatty acid ester(CHEBI:35748); ISA:dicarboxylic acid(CHEBI:35692); ISA:enoate ester(CHEBI:51702); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:polyol(CHEBI:26191); ISA:secondary alcohol(CHEBI:35681); ISA:organic heterocyclic compound(CHEBI:24532); ISA:organonitrogen compound(CHEBI:35352); ISA:aromatic alcohol(CHEBI:33854); ISA:carbonyl compound(CHEBI:36586);