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CHEBI:6725 - Melampodin A

ChEBI IDCHEBI:6725
ChEBI NameMelampodin A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H24O9
Net Charge0
Average Mass420.414
Monoisotopic Mass420.14203
SMILES[H][C@@]12/C=C(/C(=O)OC)[C@H](O)[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@]3([H])C(=C)C(=O)O[C@]3([H])/C=C(\C)[C@]1([H])O2
InChIInChI=1S/C21H24O9/c1-8-6-12-14(9(2)18(23)28-12)17(29-20(25)21(4)10(3)30-21)15(22)11(19(24)26-5)7-13-16(8)27-13/h6-7,10,12-17,22H,2H2,1,3-5H3/b8-6+,11-7+/t10-,12-,13-,14+,15+,16+,17+,21-/m1/s1
InChIKeyZFFQDPLDTMMAKO-PORRQQDQSA-N
ChEBI Ontology
Outgoing Relation(s)
Melampodin A (CHEBI:6725) is a germacranolide (CHEBI:73011)
Synonym  Source
Melampodin AKEGG COMPOUND
Manual XrefsDatabases
C09500KEGG COMPOUND
C00003322KNApSAcK
Registry NumbersSources
CAS:35852-26-7KEGG COMPOUND