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CHEBI:218957 - Didymellamide G

ChEBI IDCHEBI:218957
ChEBI NameDidymellamide G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H29NO7
Net Charge0
Average Mass443.496
Monoisotopic Mass443.19440
SMILESCC1=CC[C@@H]2[C@@H](C(=O)c3c(O)c([C@]4(O)CC[C@H](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/h3-5,10,12-14,16-17,21-22,26-27,30-31H,6-9H2,1-2H3/t12-,13-,14-,16-,17-,21-,22-,24+/m0/s1
InChIKeyCXEBHAGFESHWNA-RJJWMSMHSA-N
Species of MetaboliteComponentSourceComments
Coniochaeta cephalothecoides (ncbitaxon:2033264) - PubMed (29019245)
ChEBI Ontology
Outgoing Relation(s)
Didymellamide G (CHEBI:218957) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
3-[(1S,2S,4aR,8aS)-2,6-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene-1-carbonyl]-5-[(1S,2R,5S,6S)-2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-1,4-dihydroxypyridin-2-one
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78439478ChemSpider