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CHEBI:213319 - Mycoleptodiscin B

ChEBI IDCHEBI:213319
ChEBI NameMycoleptodiscin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H29NO3
Net Charge0
Average Mass367.489
Monoisotopic Mass367.21474
SMILESCC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)C3=CC(=O)C(=O)c4ncc(c43)C[C@@]12O
InChIInChI=1S/C23H29NO3/c1-20(2)7-5-8-22(4)16(20)6-9-21(3)14-10-15(25)19(26)18-17(14)13(12-24-18)11-23(21,22)27/h10,12,16,24,27H,5-9,11H2,1-4H3/t16-,21-,22-,23+/m0/s1
InChIKeyBATOXKDEPPPOBQ-YMPRXVIZSA-N
Species of MetaboliteComponentSourceComments
Mycoleptodiscus (ncbitaxon:60494) - PubMed (23560689)
ChEBI Ontology
Outgoing Relation(s)
Mycoleptodiscin B (CHEBI:213319) is a indoles (CHEBI:24828)
IUPAC Name 
(2S,5S,10S,11S)-11-hydroxy-2,6,6,10-tetramethyl-15-azapentacyclo[11.6.1.02,11.05,10.016,20]icosa-1(19),13,16(20)-triene-17,18-dione
Manual XrefsDatabases
78441931ChemSpider