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CHEBI:198095 - Mycoleptodiscin A

ChEBI IDCHEBI:198095
ChEBI NameMycoleptodiscin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H29NO2
Net Charge0
Average Mass351.490
Monoisotopic Mass351.21983
SMILESCC1(C)CCC[C@]2(C)[C@H]3Cc4cnc5c4C(=CC(=O)C5=O)[C@]3(C)CC[C@@H]12
InChIInChI=1S/C23H29NO2/c1-21(2)7-5-8-23(4)16(21)6-9-22(3)14-11-15(25)20(26)19-18(14)13(12-24-19)10-17(22)23/h11-12,16-17,24H,5-10H2,1-4H3/t16-,17-,22-,23-/m0/s1
InChIKeyQQSKDUQABBXCAA-DODAUVCRSA-N
Species of MetaboliteComponentSourceComments
Mycoleptodiscus (ncbitaxon:60494) - PubMed (23560689)
ChEBI Ontology
Outgoing Relation(s)
Mycoleptodiscin A (CHEBI:198095) is a indoles (CHEBI:24828)
IUPAC Name 
(2R,5S,10S,11R)-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
75565748ChemSpider