CHEBI:3577 - Chaparrin

ChEBI IDCHEBI:3577
ChEBI NameChaparrin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H28O7
Net Charge0
Average Mass380.437
Monoisotopic Mass380.18350
SMILES[H][C@]12[C@@]3(C)[C@H](O)[C@@H](O)C=C(C)[C@]3([H])C[C@@]3([H])OC(=O)C[C@@]4([H])[C@@H](C)[C@@H](O)[C@]1(O)OC[C@]234
InChIInChI=1S/C20H28O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,9-13,15-17,21,23-25H,5-7H2,1-3H3/t9-,10+,11+,12+,13-,15-,16-,17-,18-,19-,20+/m1/s1
InChIKeySYRCAVSNPCUQCQ-ZKNGBWAJSA-N
ChEBI Ontology
Outgoing Relation(s)
Chaparrin (CHEBI:3577) is a triterpenoid (CHEBI:36615)
Synonym  Source
ChaparrinKEGG COMPOUND
Manual XrefsDatabases
C00003706KNApSAcK
C08756KEGG COMPOUND
Registry NumbersSources
CAS:4616-50-6KEGG COMPOUND