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CHEBI:218933 - (+)-didymellamide B

ChEBI IDCHEBI:218933
ChEBI Name(+)-didymellamide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H27NO4
Net Charge0
Average Mass393.483
Monoisotopic Mass393.19401
SMILESC[C@H]1CC[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/C24H27NO4/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/h4-9,12-14,16,18,20,26H,3,10-11H2,1-2H3,(H2,25,27,29)/t13-,14-,16-,18-,20-/m0/s1
InChIKeyDONHJHODAKWCJS-GDQDSAMQSA-N
Species of MetaboliteComponentSourceComments
Coniochaeta cephalothecoides (ncbitaxon:2033264) - PubMed (29019245)
ChEBI Ontology
Outgoing Relation(s)
(+)-didymellamide B (CHEBI:218933) is a phenylpyridine (CHEBI:38193)
IUPAC Name 
3-[(1S,2S,4aR,6S,8aS)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-4-hydroxy-5-(4-hydroxyphenyl)-1H-pyridin-2-one
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78439474ChemSpider