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CHEBI:206831 - Didymellamide A

ChEBI IDCHEBI:206831
ChEBI NameDidymellamide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H29NO7
Net Charge0
Average Mass443.496
Monoisotopic Mass443.19440
SMILESC[C@@H]1CC[C@H]2[C@H](C(=O)c3c(O)c([C@]4(O)CCC(=O)[C@@H]5O[C@@H]54)cn(O)c3=O)[C@H](C)C=C[C@@H]2C1
InChIInChI=1S/C24H29NO7/c1-11-3-6-14-13(9-11)5-4-12(2)17(14)20(28)18-19(27)15(10-25(31)23(18)29)24(30)8-7-16(26)21-22(24)32-21/h4-5,10-14,17,21-22,27,30-31H,3,6-9H2,1-2H3/t11-,12-,13-,14-,17-,21+,22+,24-/m1/s1
InChIKeyDTNXMWNHACZCBK-BPPXLPNYSA-N
Species of MetaboliteComponentSourceComments
Stagonosporopsis cucurbitacearum (ncbitaxon:749889) - PubMed (23496341)
ChEBI Ontology
Outgoing Relation(s)
Didymellamide A (CHEBI:206831) 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]-1,4-dihydroxy-5-[(1S,2R,6R)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]pyridin-2-one
Manual XrefsDatabases
29415759ChemSpider