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CHEBI:198229 - 3-hydroxy-N-methylwelwitindolinone C isonitrile

ChEBI IDCHEBI:198229
ChEBI Name3-hydroxy-N-methylwelwitindolinone C isonitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H21ClN2O3
Net Charge0
Average Mass396.874
Monoisotopic Mass396.12407
SMILES[C-]#[N+][C@]12C(=O)[C@H](C=C(Cl)[C@@]1(C)C=C)C(C)(C)[C@@]1(O)C(=O)N(C)c3cccc2c31
InChIInChI=1S/C22H21ClN2O3/c1-7-20(4)15(23)11-13-17(26)21(20,24-5)12-9-8-10-14-16(12)22(28,19(13,2)3)18(27)25(14)6/h7-11,13,28H,1H2,2-4,6H3/t13-,20+,21+,22-/m0/s1
InChIKeyGFNPBZSGZFQTJA-WOHBTAIZSA-N
Species of MetaboliteComponentSourceComments
Fischerellaspecies (ncbitaxon:1191) - PubMed (10217710)
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-N-methylwelwitindolinone C isonitrile (CHEBI:198229) is a indoles (CHEBI:24828)
IUPAC Name 
(2S,3S,6R,8S)-4-chloro-3-ethenyl-8-hydroxy-2-isocyano-3,7,7,10-tetramethyl-10-azatetracyclo[6.6.1.12,6.011,15]hexadeca-1(15),4,11,13-tetraene-9,16-dione
Manual XrefsDatabases
8962270ChemSpider