CHEBI:3578 - Chaparrinone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Chaparrinone
ChEBI ID CHEBI:3578
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H26O7
Net Charge 0
Average Mass 378.417
Monoisotopic Mass 378.16785
InChI InChI=1S/C20H26O7/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/h4,9-11,13,15-17,23-25H,5-7H2,1-3H3/t9-,10+,11+,13-,15-,16-,17-,18-,19-,20+/m1/s1
InChIKey VLYMLZRDCSQUQF-RZUZYEBMSA-N
SMILES C[C@H]1[C@@H](O)[C@]2(O)OC[C@]34[C@H]2[C@@]2(C)[C@H](O)C(=O)C=C(C)[C@@H]2C[C@H]3OC(=O)C[C@@H]14
ChEBI Ontology
Outgoing Chaparrinone (CHEBI:3578) is a triterpenoid (CHEBI:36615)
Synonym Source
Chaparrinone KEGG COMPOUND
Manual Xrefs Databases
C00003707 KNApSAcK
C08757 KEGG COMPOUND
View more database links
Registry Number Type Source
22611-34-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014