CHEBI:9631 - Tomentosin

ChEBI IDCHEBI:9631
ChEBI NameTomentosin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILES[H][C@@]12C[C@H](C)C(CCC(C)=O)=CC[C@]1([H])C(=C)C(=O)O2
InChIInChI=1S/C15H20O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h6,9,13-14H,3-5,7-8H2,1-2H3/t9-,13+,14+/m0/s1
InChIKeyAVFIYMSJDDGDBQ-CUOATXAZSA-N
ChEBI Ontology
Outgoing Relation(s)
Tomentosin (CHEBI:9631) is a sesquiterpene lactone (CHEBI:37667)
Synonym  Source
TomentosinKEGG COMPOUND
Manual XrefsDatabases
C09562KEGG COMPOUND
C00003376KNApSAcK
Registry NumbersSources
CAS:33649-15-9KEGG COMPOUND