CHEBI:218957 - Didymellamide G

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Didymellamide G
ChEBI ID CHEBI:218957
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H29NO7
Net Charge 0
Average Mass 443.496
Monoisotopic Mass 443.19440
InChI InChI=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
InChIKey CXEBHAGFESHWNA-RJJWMSMHSA-N
SMILES O=C1N(O)C=C([C@@]2(O)[C@H]3O[C@H]3[C@@H](O)CC2)C(=C1C(=O)[C@@H]4[C@@H]5[C@@H](C=C[C@@H]4C)CC(C)=CC5)O
Metabolite of Species Details
Coniochaeta cephalothecoides (NCBI:txid2033264) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
78439478 ChemSpider
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