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CHEBI:208763 - 14-O-acetylinsulicolide A

ChEBI IDCHEBI:208763
ChEBI Name14-O-acetylinsulicolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H27NO9
Net Charge0
Average Mass473.478
Monoisotopic Mass473.16858
SMILESCC(=O)OC[C@@]1(C)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C=C1C(=O)OC[C@@]12O
InChIInChI=1S/C24H27NO9/c1-14(26)32-12-22(2)9-4-10-23(3)19(22)18(11-17-21(28)33-13-24(17,23)29)34-20(27)15-5-7-16(8-6-15)25(30)31/h5-8,11,18-19,29H,4,9-10,12-13H2,1-3H3/t18-,19+,22-,23+,24-/m1/s1
InChIKeyINLGDUWRFZHZNN-GLUARIRHSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (29297688)
ChEBI Ontology
Outgoing Relation(s)
14-O-acetylinsulicolide A (CHEBI:208763) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(5R,5aS,6S,9aS,9bS)-6-(acetyloxymethyl)-9b-hydroxy-6,9a-dimethyl-3-oxo-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzouran-5-yl] 4-nitrobenzoate
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