CHEBI:4747 - Echinocystic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Echinocystic acid
ChEBI ID CHEBI:4747
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H48O4
Net Charge 0
Average Mass 472.701
Monoisotopic Mass 472.35526
InChI InChI=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
InChIKey YKOPWPOFWMYZJZ-PRIAQAIDSA-N
SMILES CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
ChEBI Ontology
Outgoing Echinocystic acid (CHEBI:4747) is a triterpenoid (CHEBI:36615)
Synonym Source
Echinocystic acid KEGG COMPOUND
Manual Xrefs Databases
C00003516 KNApSAcK
C08942 KEGG COMPOUND
View more database links
Registry Number Type Source
510-30-5 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014