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CHEBI:70666 - (-)-(7'S,8'S)-threo-carolignan X

ChEBI IDCHEBI:70666
ChEBI Name(-)-(7'S,8'S)-threo-carolignan X
Stars
DefinitionA natural product found in Durio carinatus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC39H40O12
Net Charge0
Average Mass700.737
Monoisotopic Mass700.25198
SMILESCOc1cc(/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
InChIInChI=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
InChIKeyZLYDRQZJTMLSQL-GUOZKVRWSA-N
Species of MetaboliteComponentSourceComments
Durio carinatus (ncbitaxon:140961) stem (BTO:0001300) DOI (10.1021/np100332v) Previous component: stem bark; Methanol-soluble extract of macerated, powdered stem bark
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(-)-(7'S,8'S)-threo-carolignan X (CHEBI:70666) has role metabolite (CHEBI:25212)
(-)-(7'S,8'S)-threo-carolignan X (CHEBI:70666) is a phenylpropanoid (CHEBI:26004)
Synonym  Source
(-)-[(2S,3S)-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-enoateChEBI