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CHEBI:204366 - Didymellamide C

ChEBI IDCHEBI:204366
ChEBI NameDidymellamide C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H29NO5
Net Charge0
Average Mass411.498
Monoisotopic Mass411.20457
SMILESC[C@@H]1CC[C@H]2[C@H](C(=O)c3c(O)c(C4(O)C=CC(=O)CC4)cnc3=O)[C@H](C)C=C[C@@H]2C1
InChIInChI=1S/C24H29NO5/c1-13-3-6-17-15(11-13)5-4-14(2)19(17)22(28)20-21(27)18(12-25-23(20)29)24(30)9-7-16(26)8-10-24/h4-5,7,9,12-15,17,19,30H,3,6,8,10-11H2,1-2H3,(H2,25,27,29)/t13-,14-,15-,17-,19-,24?/m1/s1
InChIKeyJKXALCZFBIKVEQ-ZOJOTGHDSA-N
Species of MetaboliteComponentSourceComments
Stagonosporopsis cucurbitacearum (ncbitaxon:749889) - PubMed (23496341)
ChEBI Ontology
Outgoing Relation(s)
Didymellamide C (CHEBI:204366) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
3-[(1R,2R,4aS,6R,8aR)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-4-hydroxy-5-(1-hydroxy-4-oxocyclohex-2-en-1-yl)-1H-pyridin-2-one
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29415063ChemSpider