CHEBI:2527 - Ajugarin I

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Ajugarin I
ChEBI ID CHEBI:2527
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H34O7
Net Charge 0
Average Mass 434.523
Monoisotopic Mass 434.23045
InChI InChI=1S/C24H34O7/c1-15-10-20(31-17(3)26)24(14-29-16(2)25)19(6-5-8-23(24)13-30-23)22(15,4)9-7-18-11-21(27)28-12-18/h11,15,19-20H,5-10,12-14H2,1-4H3/t15-,19-,20+,22+,23+,24+/m1/s1
InChIKey RNYBNBANBCQZON-PGQNDPHJSA-N
SMILES C[C@@H]1C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@H](CCC[C@]22CO2)[C@@]1(C)CCC1=CC(=O)OC1
ChEBI Ontology
Outgoing Ajugarin I (CHEBI:2527) is a butenolide (CHEBI:50523)
Synonym Source
Ajugarin I KEGG COMPOUND
Manual Xrefs Databases
C00003400 KNApSAcK
C09058 KEGG COMPOUND
View more database links
Registry Number Type Source
62640-05-5 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014