EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:6915 - Mexicanin I

ChEBI IDCHEBI:6915
ChEBI NameMexicanin I
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H18O4
Net Charge0
Average Mass262.305
Monoisotopic Mass262.12051
SMILES[H][C@@]12C=CC(=O)[C@@]1(C)[C@H](O)[C@]1([H])C(=C)C(=O)O[C@@]1([H])C[C@H]2C
InChIInChI=1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3/t7-,9+,10+,12-,13-,15+/m1/s1
InChIKeyZVLOPMNVFLSSAA-UEIZXJDVSA-N
ChEBI Ontology
Outgoing Relation(s)
Mexicanin I (CHEBI:6915) is a sesquiterpene lactone (CHEBI:37667)
Synonym  Source
Mexicanin IKEGG COMPOUND
Manual XrefsDatabases
C09504KEGG COMPOUND
C00003326KNApSAcK
Registry NumbersSources
CAS:5945-41-5KEGG COMPOUND