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CHEBI:2629 - Ambrosin

ChEBI IDCHEBI:2629
ChEBI NameAmbrosin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H18O3
Net Charge0
Average Mass246.306
Monoisotopic Mass246.12559
SMILES[H][C@@]12OC(=O)C(=C)[C@]1([H])CC[C@H](C)[C@]1([H])C=CC(=O)[C@@]21C
InChIInChI=1S/C15H18O3/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(15)16/h6-8,10-11,13H,2,4-5H2,1,3H3/t8-,10-,11-,13+,15-/m0/s1
InChIKeyIFXGCKRDLITNAU-JHSUYXJUSA-N
ChEBI Ontology
Outgoing Relation(s)
Ambrosin (CHEBI:2629) is a sesquiterpene lactone (CHEBI:37667)
Synonym  Source
AmbrosinKEGG COMPOUND
Manual XrefsDatabases
C09292KEGG COMPOUND
C00003210KNApSAcK
Registry NumbersSources
CAS:509-93-3KEGG COMPOUND