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CHEBI:4747 - Echinocystic acid

ChEBI IDCHEBI:4747
ChEBI NameEchinocystic acid
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC30H48O4
Net Charge0
Average Mass472.710
Monoisotopic Mass472.35526
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O)[C@H](O)C[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23+,27-,28+,29+,30+/m0/s1
InChIKeyYKOPWPOFWMYZJZ-PRIAQAIDSA-N
ChEBI Ontology
Outgoing Relation(s)
Echinocystic acid (CHEBI:4747) is a triterpenoid (CHEBI:36615)
Echinocystic acid (CHEBI:4747) is conjugate acid of echinocystate (CHEBI:234158)
Incoming Relation(s)
echinocystate (CHEBI:234158) is conjugate base of Echinocystic acid (CHEBI:4747)
Synonym  Source
Echinocystic acidKEGG COMPOUND
Manual XrefsDatabases
C00003516KNApSAcK
C08942KEGG COMPOUND
Registry NumbersSources
CAS:510-30-5KEGG COMPOUND