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CHEBI:209420 - Didymellamide D

ChEBI IDCHEBI:209420
ChEBI NameDidymellamide D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H31NO6
Net Charge0
Average Mass429.513
Monoisotopic Mass429.21514
SMILESC[C@@H]1CC[C@H]2[C@H](C(=O)c3c(O)c(C4(O)CCC(=O)CC4O)cnc3=O)[C@H](C)C=C[C@@H]2C1
InChIInChI=1S/C24H31NO6/c1-12-3-6-16-14(9-12)5-4-13(2)19(16)22(29)20-21(28)17(11-25-23(20)30)24(31)8-7-15(26)10-18(24)27/h4-5,11-14,16,18-19,27,31H,3,6-10H2,1-2H3,(H2,25,28,30)/t12-,13-,14-,16-,18?,19-,24?/m1/s1
InChIKeyJBHMFFSKSHTICZ-MGXKYBNNSA-N
Species of MetaboliteComponentSourceComments
Stagonosporopsis cucurbitacearum (ncbitaxon:749889) - PubMed (23496341)
ChEBI Ontology
Outgoing Relation(s)
Didymellamide D (CHEBI:209420) 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]-5-(1,2-dihydroxy-4-oxocyclohexyl)-4-hydroxy-1H-pyridin-2-one
Manual XrefsDatabases
29414410ChemSpider