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CHEBI:218928 - (+/-)-didymellamide E

ChEBI IDCHEBI:218928
ChEBI Name(+/-)-didymellamide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H25NO4
Net Charge0
Average Mass391.467
Monoisotopic Mass391.17836
SMILESCC1=CC[C@H]2[C@H](C(=O)c3c(O)c(-c4ccc(O)cc4)cnc3=O)[C@H](C)C=C[C@@H]2C1
InChIInChI=1S/C24H25NO4/c1-13-3-10-18-16(11-13)5-4-14(2)20(18)23(28)21-22(27)19(12-25-24(21)29)15-6-8-17(26)9-7-15/h3-9,12,14,16,18,20,26H,10-11H2,1-2H3,(H2,25,27,29)/t14-,16-,18-,20-/m1/s1
InChIKeyQVTCYRAKOQWKCL-QSFMABPGSA-N
Species of MetaboliteComponentSourceComments
Coniochaeta cephalothecoides (ncbitaxon:2033264) - PubMed (29019245)
ChEBI Ontology
Outgoing Relation(s)
(+/-)-didymellamide E (CHEBI:218928) is a phenylpyridine (CHEBI:38193)
IUPAC Name 
3-[(1R,2R,4aS,8aR)-2,6-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene-1-carbonyl]-4-hydroxy-5-(4-hydroxyphenyl)-1H-pyridin-2-one
Manual XrefsDatabases
78439473ChemSpider