CHEBI:224842 - Indisocin

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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 Indisocin
ChEBI ID CHEBI:224842
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H9ClN2O3
Net Charge 0
Average Mass 276.680
Monoisotopic Mass 276.03017
InChI InChI=1S/C13H9ClN2O3/c1-8(17)19-13(7-11(14)15-2)9-5-3-4-6-10(9)16-12(13)18/h3-7H,1H3,(H,16,18)/b11-7+/t13-/m0/s1
InChIKey NFAZQDQNOPUWCO-HJTPGIPUSA-N
SMILES Cl/C(/[N+]#[C-])=C\[C@@]1(OC(=O)C)C(=O)NC2=C1C=CC=C2
Metabolite of Species Details
Nocardia (NCBI:txid1817) See: PubMed
ChEBI Ontology
Outgoing Indisocin (CHEBI:224842) is a indoles (CHEBI:24828)
IUPAC Name
[(3S)-3-[(Z)-2-chloro-2-isocyanoethenyl]-2-oxo-1H-indol-3-yl] acetate
Manual Xref Database
78443259 ChemSpider
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