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CHEBI:213797 - Welwitindolinone A isonitrile

ChEBI IDCHEBI:213797
ChEBI NameWelwitindolinone A isonitrile
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21ClN2O
Net Charge0
Average Mass352.865
Monoisotopic Mass352.13424
SMILES[C-]#[N+]C1=C2[C@H](C[C@@H](Cl)[C@@]1(C)C=C)C(C)(C)[C@@]21C(=O)Nc2ccccc21
InChIInChI=1S/C21H21ClN2O/c1-6-20(4)15(22)11-13-16(17(20)23-5)21(19(13,2)3)12-9-7-8-10-14(12)24-18(21)25/h6-10,13,15H,1,11H2,2-4H3,(H,24,25)/t13-,15+,20+,21+/m0/s1
InChIKeyXLRFBPJWPHKLJV-OKKVMHGVSA-N
Species of MetaboliteComponentSourceComments
Hapalosiphon welwitschii (ncbitaxon:162986) - DOI (10.1021/jo00226a009)
ChEBI Ontology
Outgoing Relation(s)
Welwitindolinone A isonitrile (CHEBI:213797) is a indoles (CHEBI:24828)
IUPAC Name 
(3S,3'S,4'R,6'R)-4'-chloro-3'-ethenyl-2'-isocyano-3',7',7'-trimethylspiro[1H-indole-3,8'-bicyclo[4.2.0]oct-1-ene]-2-one
Manual XrefsDatabases
9676041ChemSpider