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CHEBI:4933 - Eupatocunin

ChEBI IDCHEBI:4933
ChEBI NameEupatocunin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC22H28O7
Net Charge0
Average Mass404.459
Monoisotopic Mass404.18350
SMILES[H][C@@]12/C=C(/C)[C@@H](OC(C)=O)C/C=C(\C)C(O)[C@@H](OC(=O)/C(C)=C\C)[C@@]1([H])C(=C)C(=O)O2
InChIInChI=1S/C22H28O7/c1-7-11(2)21(25)29-20-18-14(5)22(26)28-17(18)10-13(4)16(27-15(6)23)9-8-12(3)19(20)24/h7-8,10,16-20,24H,5,9H2,1-4,6H3/b11-7-,12-8+,13-10-/t16-,17+,18-,19?,20-/m0/s1
InChIKeyJWMHJIFDEKQJQY-RQTLWOOHSA-N
ChEBI Ontology
Outgoing Relation(s)
Eupatocunin (CHEBI:4933) is a germacranolide (CHEBI:73011)
Synonym  Source
EupatocuninKEGG COMPOUND
Manual XrefsDatabases
C09437KEGG COMPOUND
C00003275KNApSAcK
Registry NumbersSources
CAS:33853-87-1KEGG COMPOUND