CHEBI:208769 - Insulicolide C

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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 Insulicolide C
ChEBI ID CHEBI:208769
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H27NO8
Net Charge 0
Average Mass 457.479
Monoisotopic Mass 457.17367
InChI InChI=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
InChIKey SGOUSTXCSCZUBQ-ABPIBVIQSA-N
SMILES O=[N+]([O-])C1=CC=C(C(=O)O[C@@H]2C=C3C(=O)OC[C@@H]3[C@@]4([C@@H]2[C@](CCC4)(COC(=O)C)C)C)C=C1
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
64808793 ChemSpider
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