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CHEBI:70673 - threo-carolignan E

ChEBI IDCHEBI:70673
ChEBI Namethreo-carolignan E
Stars
DefinitionA natural product found in Durio carinatus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC40H42O13
Net Charge0
Average Mass730.763
Monoisotopic Mass730.26254
SMILESCOc1cc(/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
InChIInChI=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
InChIKeyCXFBVHGWTGTGBR-QYQWMRSMSA-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)
threo-carolignan E (CHEBI:70673) has role metabolite (CHEBI:25212)
threo-carolignan E (CHEBI:70673) is a phenylpropanoid (CHEBI:26004)