CHEBI:6360 - Lactupicrin

ChEBI IDCHEBI:6360
ChEBI NameLactupicrin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC23H22O7
Net Charge0
Average Mass410.422
Monoisotopic Mass410.13655
SMILES[H][C@]12C(CO)=CC(=O)C1=C(C)C[C@H](OC(=O)Cc1ccc(O)cc1)[C@@]1([H])C(=C)C(=O)O[C@]21[H]
InChIInChI=1S/C23H22O7/c1-11-7-17(29-18(27)8-13-3-5-15(25)6-4-13)20-12(2)23(28)30-22(20)21-14(10-24)9-16(26)19(11)21/h3-6,9,17,20-22,24-25H,2,7-8,10H2,1H3/t17-,20+,21-,22-/m0/s1
InChIKeyUMVSOHBRAQTGQI-XGARDCMYSA-N
ChEBI Ontology
Outgoing Relation(s)
Lactupicrin (CHEBI:6360) is a sesquiterpene lactone (CHEBI:37667)
Synonym  Source
LactupicrinKEGG COMPOUND
Manual XrefsDatabases
C09490KEGG COMPOUND
C00003312KNApSAcK
Registry NumbersSources
CAS:65725-11-3KEGG COMPOUND