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

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ChEBI Name 6'-de-O-acetylcupacinoside
ChEBI ID CHEBI:67816
Definition A natural product found in Cupania cinerea.
Stars This entity has been manually annotated by a third party.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C38H60O13
Net Charge 0
Average Mass 724.87520
Monoisotopic Mass 724.40339
InChI InChI=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
InChIKey PGXNHZIZPQGRHQ-QPBQINIHSA-N
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](O)[C@H](O)[C@@H](CO)O[C@H]1OC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C
Metabolite of Species Details
Cupania cinerea (NCBI:txid298314) Found in bark (BTO:0001301). Crude n-hexane and dichloromethane extract of dried and powdered bark See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-glucopyranoside ChEBI
Citation
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:O-acyl carbohydrate(CHEBI:52782); ISA:diterpenoid(CHEBI:23849); ISA:glycoside(CHEBI:24400); ISA:disaccharide(CHEBI:36233); ISA:oxanes(CHEBI:46942); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:polyol(CHEBI:26191); ISA:organonitrogen compound(CHEBI:35352); ISA:acetal(CHEBI:59769); ISA:primary alcohol(CHEBI:15734); ISA:carbonyl compound(CHEBI:36586);