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CHEBI:211800 - Nominine

ChEBI IDCHEBI:211800
ChEBI NameNominine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39NO
Net Charge0
Average Mass405.626
Monoisotopic Mass405.30316
SMILESC=C1CC[C@@]2(C)[C@H](C)CC[C@H](O)[C@@]2(CCC=C(C)C)[C@@H]1Cc1cnc2ccccc12
InChIInChI=1S/C28H39NO/c1-19(2)9-8-15-28-24(17-22-18-29-25-11-7-6-10-23(22)25)20(3)14-16-27(28,5)21(4)12-13-26(28)30/h6-7,9-11,18,21,24,26,29-30H,3,8,12-17H2,1-2,4-5H3/t21-,24-,26+,27+,28-/m1/s1
InChIKeyBSSPRCKKWJRAJZ-LSKARBNJSA-N
Species of MetaboliteComponentSourceComments
Aspergillus nomiae NRRL 13137 (ncbitaxon:1509407) - DOI (10.1021/jo00272a012)
ChEBI Ontology
Outgoing Relation(s)
Nominine (CHEBI:211800) is a indoles (CHEBI:24828)
IUPAC Name 
(1S,4R,4aS,8R,8aS)-8-(1H-indol-3-ylmethyl)-4,4a-dimethyl-7-methylidene-8a-(4-methylpent-3-enyl)-2,3,4,5,6,8-hexahydro-1H-naphthalen-1-ol
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10135375ChemSpider