CHEBI:70667 - (-)-(7'R,8'S)-erythro-carolignan X

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ChEBI Name (-)-(7'R,8'S)-erythro-carolignan X
ChEBI ID CHEBI:70667
Definition A natural product found in Durio carinatus and Durio oxleyanus.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C39H40O12
Net Charge 0
Average Mass 700.72770
Monoisotopic Mass 700.25198
InChI InChI=1S/C39H40O12/c1-46-33-21-27(8-15-30(33)41)11-19-37(43)49-20-4-5-26-9-17-32(35(22-26)48-3)51-36(39(45)28-12-16-31(42)34(23-28)47-2)24-50-38(44)18-10-25-6-13-29(40)14-7-25/h6-19,21-23,36,39-42,45H,4-5,20,24H2,1-3H3/b18-10+,19-11+/t36-,39+/m0/s1
InChIKey ZLYDRQZJTMLSQL-NZPBQFBHSA-N
SMILES COc1cc(\C=C\C(=O)OCCCc2ccc(O[C@@H](COC(=O)\C=C\c3ccc(O)cc3)[C@H](O)c3ccc(O)c(OC)c3)c(OC)c2)ccc1O
Metabolite of Species Details
Durio oxleyanus (NCBI:txid117662) Found in bark (BTO:0001301). Chloroform soluble components of methanolic extract of bark See: DOI
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.
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ChEBI Ontology
Outgoing (-)-(7'R,8'S)-erythro-carolignan X (CHEBI:70667) has role metabolite (CHEBI:25212)
(-)-(7'R,8'S)-erythro-carolignan X (CHEBI:70667) is a phenylpropanoid (CHEBI:26004)
Synonym Source
(-)-[(2S,3R)-3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-[4-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl]-2-methoxyphenoxy]propyl](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: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);