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CHEBI:67349 - rel-6'-O-cinnamoyl-8-O-(6'-O-cinnamoylglucopyranosyl)mussaenosidic acid

ChEBI IDCHEBI:67349
ChEBI Namerel-6'-O-cinnamoyl-8-O-(6'-O-cinnamoylglucopyranosyl)mussaenosidic acid
Stars
DefinitionA natural product found in Anarrhinum orientale.
Last Modified22 September 2014
DownloadsMolfile
FormulaC40H46O17
Net Charge0
Average Mass798.791
Monoisotopic Mass798.27350
SMILES[H][C@@]1(O[C@@H]2OC=C(C(=O)O)[C@]3([H])CC[C@](C)(O[C@@H]4O[C@H](COC(=O)/C=C/c5ccccc5)[C@@H](O)[C@H](O)[C@H]4O)[C@]23[H])O[C@H](COC(=O)/C=C/c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C40H46O17/c1-40(57-39-35(48)33(46)31(44)26(55-39)20-52-28(42)15-13-22-10-6-3-7-11-22)17-16-23-24(36(49)50)18-53-37(29(23)40)56-38-34(47)32(45)30(43)25(54-38)19-51-27(41)14-12-21-8-4-2-5-9-21/h2-15,18,23,25-26,29-35,37-39,43-48H,16-17,19-20H2,1H3,(H,49,50)/b14-12+,15-13+/t23-,25+,26+,29-,30+,31+,32-,33-,34+,35+,37-,38-,39-,40-/m0/s1
InChIKeyGFPVMLGOXDZRCV-QAQKAEDJSA-N
Species of MetaboliteComponentSourceComments
Anarrhinum orientale (IPNI:798907-1) aerial part (BTO:0001658) PubMed (21506603) MeOH extract of dried aerial parts
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)
rel-6'-O-cinnamoyl-8-O-(6'-O-cinnamoylglucopyranosyl)mussaenosidic acid (CHEBI:67349) has role metabolite (CHEBI:25212)
rel-6'-O-cinnamoyl-8-O-(6'-O-cinnamoylglucopyranosyl)mussaenosidic acid (CHEBI:67349) is a terpene glycoside (CHEBI:61777)
Synonym  Source
(1S,4aS,7S,7aS)-7-Methyl-1,7-bis({6-O-[(2E)-3-phenyl-2-propenoyl]-beta-D-glucopyranosyl}oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acidChEBI
Citations