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CHEBI:67816 - 6'-de-O-acetylcupacinoside

ChEBI IDCHEBI:67816
ChEBI Name6'-de-O-acetylcupacinoside
Stars
DefinitionA natural product found in Cupania cinerea.
Last Modified22 September 2014
DownloadsMolfile
FormulaC38H60O13
Net Charge0
Average Mass724.885
Monoisotopic Mass724.40339
SMILES[H][C@]1(O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C38H60O13/c1-22(2)13-10-14-23(3)15-11-16-24(4)17-12-18-25(5)19-20-45-37-34(32(44)31(43)30(21-39)50-37)51-38-36(49-29(9)42)35(48-28(8)41)33(26(6)46-38)47-27(7)40/h13,15,17,19,26,30-39,43-44H,10-12,14,16,18,20-21H2,1-9H3/b23-15+,24-17+,25-19+/t26-,30+,31+,32-,33-,34+,35+,36+,37+,38-/m0/s1
InChIKeyPGXNHZIZPQGRHQ-QPBQINIHSA-N
Species of MetaboliteComponentSourceComments
Cupania cinerea (ncbitaxon:298314) bark (BTO:0001301) PubMed (21438586) Crude n-hexane and dichloromethane extract of dried and powdered 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)
6'-de-O-acetylcupacinoside (CHEBI:67816) has role metabolite (CHEBI:25212)
6'-de-O-acetylcupacinoside (CHEBI:67816) is a diterpene glycoside (CHEBI:71939)
Synonym  Source
(2E,6E,10E)-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraen-1-yl 2-O-(2,3,4-tri-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosideChEBI
Citations