CHEBI:70669 - (-)-(7'R,8'S)-erythro-carolignan Y

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ChEBI Name (-)-(7'R,8'S)-erythro-carolignan Y
ChEBI ID CHEBI:70669
Definition A natural product found in Durio oxleyanus.
Stars This entity has been manually annotated by a third party.
Supplier Information ZINC000096086452
Download Molfile XML SDF
Formula C40H42O12
Net Charge 0
Average Mass 714.75430
Monoisotopic Mass 714.26763
InChI InChI=1S/C40H42O12/c1-46-34-22-28(9-16-31(34)42)12-20-38(44)50-21-5-6-27-10-18-33(36(23-27)48-3)52-37(40(49-4)29-13-17-32(43)35(24-29)47-2)25-51-39(45)19-11-26-7-14-30(41)15-8-26/h7-20,22-24,37,40-43H,5-6,21,25H2,1-4H3/b19-11+,20-12+/t37-,40+/m0/s1
InChIKey XJRGSDSGSICBNP-HMCDAIPASA-N
SMILES CO[C@@H]([C@H](COC(=O)\C=C\c1ccc(O)cc1)Oc1ccc(CCCOC(=O)\C=C\c2ccc(O)c(OC)c2)cc1OC)c1ccc(O)c(OC)c1
Metabolite of Species Details
Durio oxleyanus (NCBI:txid117662) Found in bark (BTO:0001301). Chloroform soluble components of methanolic extract of 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 (-)-(7'R,8'S)-erythro-carolignan Y (CHEBI:70669) has role metabolite (CHEBI:25212)
(-)-(7'R,8'S)-erythro-carolignan Y (CHEBI:70669) is a phenylpropanoid (CHEBI:26004)
Synonym Source
(-)-[(2S,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-[4-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl]-2-methoxyphenoxy]-3-methoxypropyl](E)-3-(4-hydroxyphenyl)prop-2-enoate ChEBI
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:benzyl ether(CHEBI:59859); ISA:olefinic compound(CHEBI:78840); ISA:styrenes(CHEBI:26799); ISA:fatty acid ester(CHEBI:35748); ISA:aromatic ether(CHEBI:35618); ISA:dicarboxylic acid(CHEBI:35692); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:polyol(CHEBI:26191); ISA:organic heterocyclic compound(CHEBI:24532); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:aromatic alcohol(CHEBI:33854); ISA:carbonyl compound(CHEBI:36586);