CHEBI:200478 - 12-epi-hapalindole J 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 12-epi-hapalindole J isonitrile
ChEBI ID CHEBI:200478
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H24N2
Net Charge 0
Average Mass 304.437
Monoisotopic Mass 304.19395
InChI InChI=1S/C21H24N2/c1-6-21(4)11-10-15-18(19(21)22-5)13-12-23-16-9-7-8-14(17(13)16)20(15,2)3/h6-9,12,15,18-19,23H,1,10-11H2,2-4H3/t15-,18-,19+,21+/m0/s1
InChIKey SLUFHMQYBPOTFZ-XJRBWHPUSA-N
SMILES [N+](#[C-])[C@H]1[C@](C=C)(CC[C@H]2[C@@H]1C=3C4=C(C=CC=C4NC3)C2(C)C)C
Metabolite of Species Details
Fischerella (NCBI:txid1190) See: PubMed
ChEBI Ontology
Outgoing 12-epi-hapalindole J isonitrile (CHEBI:200478) is a indoles (CHEBI:24828)
IUPAC Name
(2R,3R,4S,7S)-4-ethenyl-3-isocyano-4,8,8-trimethyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),9(16),10,12-tetraene
Manual Xref Database
28284588 ChemSpider
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