CHEBI:209240 - Penicilindole C

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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 Penicilindole C
ChEBI ID CHEBI:209240
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H39NO2
Net Charge 0
Average Mass 421.625
Monoisotopic Mass 421.29808
InChI InChI=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
InChIKey XHGDWOIUBXSXIP-JTACFZARSA-N
SMILES O1[C@@H]2[C@@]3([C@]([C@H](C)CC2)(CC[C@]([C@H]3CC=4C5=C(C=CC=C5)NC4)(O)C)C)C[C@H]1C=C(C)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
65323289 ChemSpider
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