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CHEBI:5540 - Gratiogenin

ChEBI IDCHEBI:5540
ChEBI NameGratiogenin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC30H48O4
Net Charge0
Average Mass472.710
Monoisotopic Mass472.35526
SMILES[H][C@@]12CC=C3C(C)(C)[C@@H](O)CC[C@@]3([H])[C@]1(C)C(=O)C[C@]1(C)[C@@]([H])([C@]3(C)CC[C@@H](C(C)(C)O)O3)CC[C@@]21C
InChIInChI=1S/C30H48O4/c1-25(2)18-9-11-21-27(5)15-13-20(29(7)16-14-24(34-29)26(3,4)33)28(27,6)17-23(32)30(21,8)19(18)10-12-22(25)31/h9,19-22,24,31,33H,10-17H2,1-8H3/t19-,20+,21+,22+,24+,27+,28-,29+,30+/m1/s1
InChIKeyDJFUSGZOFOKWFY-HVNJZMCDSA-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)
Gratiogenin (CHEBI:5540) is a triterpenoid saponin (CHEBI:61778)
Synonym  Source
GratiogeninKEGG COMPOUND
Manual XrefsDatabases
C08808KEGG COMPOUND
Registry NumbersSources
CAS:7067-16-5KEGG COMPOUND