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CHEBI:2527 - Ajugarin I

ChEBI IDCHEBI:2527
ChEBI NameAjugarin I
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC24H34O7
Net Charge0
Average Mass434.529
Monoisotopic Mass434.23045
SMILES[H][C@]12CCC[C@]3(CO3)[C@]1(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@]2(C)CCC1=CC(=O)OC1
InChIInChI=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
InChIKeyRNYBNBANBCQZON-PGQNDPHJSA-N
ChEBI Ontology
Outgoing Relation(s)
Ajugarin I (CHEBI:2527) is a butenolide (CHEBI:50523)
Synonym  Source
Ajugarin IKEGG COMPOUND
Manual XrefsDatabases
C09058KEGG COMPOUND
C00003400KNApSAcK
Registry NumbersSources
CAS:62640-05-5KEGG COMPOUND