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CHEBI:197940 - N-methylwelwitindolinone D isonitrile

ChEBI IDCHEBI:197940
ChEBI NameN-methylwelwitindolinone D isonitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20N2O4
Net Charge0
Average Mass376.412
Monoisotopic Mass376.14231
SMILES[C-]#[N+][C@@]12C(=O)[C@@H]3[C@@H](O[C@@]4(C(=O)N(C)c5cccc1c54)C3(C)C)C(=O)[C@@]2(C)C=C
InChIInChI=1S/C22H20N2O4/c1-7-20(4)17(26)15-14-16(25)21(20,23-5)11-9-8-10-12-13(11)22(28-15,19(14,2)3)18(27)24(12)6/h7-10,14-15H,1H2,2-4,6H3/t14-,15+,20+,21+,22-/m0/s1
InChIKeyUIYNCSYDIUPTBP-VQKSPFJLSA-N
Species of MetaboliteComponentSourceComments
Fischerellaspecies (ncbitaxon:1191) - PubMed (10217710)
ChEBI Ontology
Outgoing Relation(s)
N-methylwelwitindolinone D isonitrile (CHEBI:197940) is a indoles (CHEBI:24828)
IUPAC Name 
(1S,3S,4R,6S,7S)-6-ethenyl-7-isocyano-2,2,6,13-tetramethyl-17-oxa-13-azapentacyclo[6.6.1.11,4.13,7.012,15]heptadeca-8(15),9,11-triene-5,14,16-trione
Manual XrefsDatabases
74166591ChemSpider