CHEBI:211622 - Ambiguine L isonitrile

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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 Ambiguine L isonitrile
ChEBI ID CHEBI:211622
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H30N2O
Net Charge 0
Average Mass 386.539
Monoisotopic Mass 386.23581
InChI InChI=1S/C26H30N2O/c1-8-24(6)13-12-18-23(4,5)16-10-9-11-17-19(16)20-21(28-17)22(2,3)14-15-25(24,27-7)26(18,20)29/h8-11,14-15,18,28-29H,1,12-13H2,2-6H3/t18-,24+,25+,26-/m1/s1
InChIKey GCEYOMBDTZKZAO-PKNULQPYSA-N
SMILES O[C@]12C=3C4=C5C=CC=C4NC3C(C)(C)C=C[C@]1([N+]#[C-])[C@@](C=C)(CC[C@@H]2C5(C)C)C
Metabolite of Species Details
Fischerella ambigua UTEX 1903 (NCBI:txid230521) See: PubMed
ChEBI Ontology
Outgoing Ambiguine L isonitrile (CHEBI:211622) is a indoles (CHEBI:24828)
IUPAC Name
(11S,12R,15R,16R)-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
24629294 ChemSpider
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