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CHEBI:70668 - (-)-(7'S,8'S)-threo-carolignan Y

ChEBI IDCHEBI:70668
ChEBI Name(-)-(7'S,8'S)-threo-carolignan Y
Stars
DefinitionA natural product found in Durio oxleyanus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC40H42O12
Net Charge0
Average Mass714.764
Monoisotopic Mass714.26763
SMILESCOc1cc(/C=C/C(=O)OCCCc2ccc(O[C@@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC)c3ccc(O)c(OC)c3)c(OC)c2)ccc1O
InChIInChI=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
InChIKeyXJRGSDSGSICBNP-LJAWTHKASA-N
Species of MetaboliteComponentSourceComments
Durio oxleyanus (ncbitaxon:117662) bark (BTO:0001301) DOI (10.1021/np100332v) Chloroform soluble components of methanolic extract of 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 Y (CHEBI:70668) has role metabolite (CHEBI:25212)
(-)-(7'S,8'S)-threo-carolignan Y (CHEBI:70668) is a phenylpropanoid (CHEBI:26004)
Synonym  Source
(-)-[(2S,3S)-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-enoateChEBI