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CHEBI:7919 - Papyriferic acid

ChEBI IDCHEBI:7919
ChEBI NamePapyriferic acid
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC35H56O8
Net Charge0
Average Mass604.825
Monoisotopic Mass604.39752
SMILES[H][C@]12C[C@@H](OC(C)=O)[C@]3([H])[C@@]([H])([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@H](OC(=O)CC(=O)O)CC[C@]21C
InChIInChI=1S/C35H56O8/c1-20(36)41-22-18-24-32(6)14-12-25(42-28(39)19-27(37)38)30(2,3)23(32)11-16-33(24,7)34(8)15-10-21(29(22)34)35(9)17-13-26(43-35)31(4,5)40/h21-26,29,40H,10-19H2,1-9H3,(H,37,38)/t21-,22+,23-,24+,25+,26+,29-,32-,33+,34+,35-/m0/s1
InChIKeyRLVAVWQAAQFUOP-GNYBQDBLSA-N
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)
Papyriferic acid (CHEBI:7919) is a triterpenoid saponin (CHEBI:61778)
Synonym  Source
Papyriferic acidKEGG COMPOUND
Manual XrefsDatabases
C08632KEGG COMPOUND
C00003752KNApSAcK
Registry NumbersSources
CAS:78782-15-7KEGG COMPOUND