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CHEBI:6726 - Melampodinin

ChEBI IDCHEBI:6726
ChEBI NameMelampodinin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC25H30O12
Net Charge0
Average Mass522.503
Monoisotopic Mass522.17373
SMILES[H][C@@]12/C=C(/C(=O)OC)[C@H](OC(C)=O)[C@@H](OC(=O)[C@](C)(O)[C@H](C)OC(C)=O)[C@@]3([H])C(=C)C(=O)O[C@]3([H])/C=C(\C)[C@]1([H])O2
InChIInChI=1S/C25H30O12/c1-10-8-16-18(11(2)22(28)36-16)21(37-24(30)25(6,31)12(3)33-13(4)26)20(34-14(5)27)15(23(29)32-7)9-17-19(10)35-17/h8-9,12,16-21,31H,2H2,1,3-7H3/b10-8+,15-9+/t12-,16+,17+,18-,19-,20-,21-,25+/m0/s1
InChIKeyMMVDOOAKJHDAMB-FINAXWQVSA-N
ChEBI Ontology
Outgoing Relation(s)
Melampodinin (CHEBI:6726) is a germacranolide (CHEBI:73011)
Synonym  Source
MelampodininKEGG COMPOUND
Manual XrefsDatabases
C09501KEGG COMPOUND
C00003323KNApSAcK
Registry NumbersSources
CAS:60295-53-6KEGG COMPOUND