CHEBI:198461 - Ambiguine K isonitrile

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ChEBI Name Ambiguine K isonitrile
ChEBI ID CHEBI:198461
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H29ClN2O
Net Charge 0
Average Mass 420.980
Monoisotopic Mass 420.19684
InChI InChI=1S/C26H29ClN2O/c1-8-24(6)18(27)14-17-23(4,5)15-10-9-11-16-19(15)20-21(29-16)22(2,3)12-13-25(24,28-7)26(17,20)30/h8-13,17-18,29-30H,1,14H2,2-6H3/t17-,18-,24+,25+,26-/m1/s1
InChIKey RSUTYZFOFIAHFY-OWINPNOJSA-N
SMILES Cl[C@H]1[C@](C=C)([C@@]2([N+]#[C-])C=CC(C)(C)C3=C4[C@]2(O)[C@H](C1)C(C=5C=CC=C(C45)N3)(C)C)C
Metabolite of Species Details
Fischerella ambigua UTEX 1903 (NCBI:txid230521) See: PubMed
ChEBI Ontology
Outgoing Ambiguine K isonitrile (CHEBI:198461) is a indoles (CHEBI:24828)
IUPAC Name
(11S,12R,13R,15R,16R)-13-chloro-12-ethenyl-11-isocyano-8,8,12,19,19-pentamethyl-6-azapentacyclo[13.3.1.05,18.07,17.011,16]nonadeca-1(18),2,4,7(17),9-pentaen-16-ol
Manual Xref Database
24620572 ChemSpider
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