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CHEBI:3679 - Chromolaenide

ChEBI IDCHEBI:3679
ChEBI NameChromolaenide
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[C@@H](OC(=O)/C(C)=C/CO)[C@@]1([H])C(=C)C(=O)O2
InChIInChI=1S/C22H28O7/c1-12-6-7-17(27-16(5)24)14(3)11-19-20(15(4)22(26)29-19)18(10-12)28-21(25)13(2)8-9-23/h6,8,11,17-20,23H,4,7,9-10H2,1-3,5H3/b12-6+,13-8+,14-11-/t17-,18+,19+,20+/m0/s1
InChIKeyFOCCASNSHDSZLN-CGZYOCHMSA-N
ChEBI Ontology
Outgoing Relation(s)
Chromolaenide (CHEBI:3679) is a germacranolide (CHEBI:73011)
Synonym  Source
ChromolaenideKEGG COMPOUND
Manual XrefsDatabases
C09361KEGG COMPOUND
C00003231KNApSAcK
Registry NumbersSources
CAS:66148-25-2KEGG COMPOUND