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CHEBI:4038 - Cynaropicrin

ChEBI IDCHEBI:4038
ChEBI NameCynaropicrin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC19H22O6
Net Charge0
Average Mass346.379
Monoisotopic Mass346.14164
SMILES[H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](OC(=O)C(=C)CO)CC(=C)[C@]1([H])C[C@H](O)C(=C)[C@]21[H]
InChIInChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1
InChIKeyKHSCYOFDKADJDJ-NQLMQOPMSA-N
ChEBI Ontology
Outgoing Relation(s)
Cynaropicrin (CHEBI:4038) is a sesquiterpene lactone (CHEBI:37667)
Synonym  Source
CynaropicrinKEGG COMPOUND
Manual XrefsDatabases
C09385KEGG COMPOUND
C00003243KNApSAcK
Registry NumbersSources
CAS:35730-78-0KEGG COMPOUND