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CHEBI:208769 - Insulicolide C

ChEBI IDCHEBI:208769
ChEBI NameInsulicolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H27NO8
Net Charge0
Average Mass457.479
Monoisotopic Mass457.17367
SMILESCC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@H]3COC(=O)C3=C[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]12
InChIInChI=1S/C24H27NO8/c1-14(26)32-13-23(2)9-4-10-24(3)18-12-31-22(28)17(18)11-19(20(23)24)33-21(27)15-5-7-16(8-6-15)25(29)30/h5-8,11,18-20H,4,9-10,12-13H2,1-3H3/t18-,19+,20-,23+,24+/m0/s1
InChIKeySGOUSTXCSCZUBQ-ABPIBVIQSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (29297688)
ChEBI Ontology
Outgoing Relation(s)
Insulicolide C (CHEBI:208769) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(5R,5aR,6S,9aR,9bR)-6-(acetyloxymethyl)-6,9a-dimethyl-3-oxo-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzouran-5-yl] 4-nitrobenzoate
Manual XrefsDatabases
64808793ChemSpider