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CHEBI:213205 - Thiersindole C

ChEBI IDCHEBI:213205
ChEBI NameThiersindole C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39NO
Net Charge0
Average Mass405.626
Monoisotopic Mass405.30316
SMILESCC(C)=CCC[C@@]1(C)C2=C(CC[C@@H]1O)[C@](C)(Cc1cnc3ccccc13)[C@@H](C)CC2
InChIInChI=1S/C28H39NO/c1-19(2)9-8-16-27(4)23-13-12-20(3)28(5,24(23)14-15-26(27)30)17-21-18-29-25-11-7-6-10-22(21)25/h6-7,9-11,18,20,26,29-30H,8,12-17H2,1-5H3/t20-,26-,27-,28+/m0/s1
InChIKeyOCYNSSRIJRLWML-QGQKXLEHSA-N
Species of MetaboliteComponentSourceComments
Penicillium thiersii (ncbitaxon:116978) - PubMed (14510604)
ChEBI Ontology
Outgoing Relation(s)
Thiersindole C (CHEBI:213205) is a indoles (CHEBI:24828)
IUPAC Name 
(1S,2S,5R,6S)-5-(1H-indol-3-ylmethyl)-1,5,6-trimethyl-1-(4-methylpent-3-enyl)-2,3,4,6,7,8-hexahydronaphthalen-2-ol
Manual XrefsDatabases
9233745ChemSpider