CHEBI:2629 - Ambrosin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Ambrosin
ChEBI ID CHEBI:2629
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C15H18O3
Net Charge 0
Average Mass 246.302
Monoisotopic Mass 246.12559
InChI InChI=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
InChIKey IFXGCKRDLITNAU-JHSUYXJUSA-N
SMILES C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)[C@@]2(C)[C@H]1C=CC2=O
ChEBI Ontology
Outgoing Ambrosin (CHEBI:2629) is a sesquiterpene lactone (CHEBI:37667)
Synonym Source
Ambrosin KEGG COMPOUND
Manual Xrefs Databases
C00003210 KNApSAcK
C09292 KEGG COMPOUND
View more database links
Registry Number Type Source
509-93-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014