CHEBI:3579 - Chaparrolide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Chaparrolide
ChEBI ID CHEBI:3579
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H30O6
Net Charge 0
Average Mass 366.449
Monoisotopic Mass 366.20424
InChI InChI=1S/C20H30O6/c1-8-5-12(21)18(25)20(4)10(8)6-13-19(3)11(7-14(22)26-13)9(2)15(23)16(24)17(19)20/h8-13,15,17-18,21,23,25H,5-7H2,1-4H3/t8-,9-,10+,11+,12+,13-,15+,17+,18-,19-,20+/m1/s1
InChIKey KBORUIMKALHADL-DXKQOFSOSA-N
SMILES C[C@@H]1C[C@H](O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)C[C@H]3[C@@H](C)[C@H](O)C(=O)[C@H]2[C@@]13C
ChEBI Ontology
Outgoing Chaparrolide (CHEBI:3579) is a triterpenoid (CHEBI:36615)
Synonym Source
Chaparrolide KEGG COMPOUND
Manual Xrefs Databases
C00003708 KNApSAcK
C08758 KEGG COMPOUND
View more database links
Registry Number Type Source
33512-38-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014