CHEBI:4038 - Cynaropicrin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Cynaropicrin
ChEBI ID CHEBI:4038
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C19H22O6
Net Charge 0
Average Mass 346.375
Monoisotopic Mass 346.14164
InChI InChI=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
InChIKey KHSCYOFDKADJDJ-NQLMQOPMSA-N
SMILES OCC(=C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12
ChEBI Ontology
Outgoing Cynaropicrin (CHEBI:4038) is a sesquiterpene lactone (CHEBI:37667)
Synonym Source
Cynaropicrin KEGG COMPOUND
Manual Xrefs Databases
C00003243 KNApSAcK
C09385 KEGG COMPOUND
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Registry Number Type Source
35730-78-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014