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CHEBI:199893 - Lecanindole A

ChEBI IDCHEBI:199893
ChEBI NameLecanindole A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H27NO2
Net Charge0
Average Mass349.474
Monoisotopic Mass349.20418
SMILESCC1(C)C(=O)C=C[C@]2(C)[C@@]3(C)c4nc5ccccc5c4C[C@@H]3CC[C@@]12O
InChIInChI=1S/C23H27NO2/c1-20(2)18(25)10-11-21(3)22(4)14(9-12-23(20,21)26)13-16-15-7-5-6-8-17(15)24-19(16)22/h5-8,10-11,14,24,26H,9,12-13H2,1-4H3/t14-,21+,22+,23+/m0/s1
InChIKeyWLBPCNCJVFINNT-SESVXGAZSA-N
Species of MetaboliteComponentSourceComments
Verticillium (ncbitaxon:1036719) - PubMed (19863083)
ChEBI Ontology
Outgoing Relation(s)
Lecanindole A (CHEBI:199893) is a indoles (CHEBI:24828)
IUPAC Name 
(1S,12S,15S,20R)-15-hydroxy-1,16,16,20-tetramethyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-2(10),4,6,8,18-pentaen-17-one
Manual XrefsDatabases
24531937ChemSpider