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CHEBI:209240 - Penicilindole C

ChEBI IDCHEBI:209240
ChEBI NamePenicilindole C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39NO2
Net Charge0
Average Mass421.625
Monoisotopic Mass421.29808
SMILESCC(C)=C[C@@H]1C[C@@]23[C@H](CC[C@@H](C)[C@]2(C)CC[C@@](C)(O)[C@H]3Cc2cnc3ccccc23)O1
InChIInChI=1S/C28H39NO2/c1-18(2)14-21-16-28-24(15-20-17-29-23-9-7-6-8-22(20)23)27(5,30)13-12-26(28,4)19(3)10-11-25(28)31-21/h6-9,14,17,19,21,24-25,29-30H,10-13,15-16H2,1-5H3/t19-,21-,24-,25+,26+,27-,28-/m1/s1
InChIKeyXHGDWOIUBXSXIP-JTACFZARSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (29489361)
ChEBI Ontology
Outgoing Relation(s)
Penicilindole C (CHEBI:209240) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(2S,3aS,6R,6aS,9R,10S,10aS)-10-(1H-indol-3-ylmethyl)-6,6a,9-trimethyl-2-(2-methylprop-1-enyl)-2,3a,4,5,6,7,8,10-octahydro-1H-benzo[d][1]benzouran-9-ol
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65323289ChemSpider