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CHEBI:218455 - Emindole PB

ChEBI IDCHEBI:218455
ChEBI NameEmindole PB
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SubmitterMetaboLights
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FormulaC33H47NO2
Net Charge0
Average Mass489.744
Monoisotopic Mass489.36068
SMILESC=CC(C)(C)n1cc(C[C@@H]2CC[C@@H]3C(=CC[C@@H]4O[C@H](C(C)(C)O)CC[C@]43C)C2(C)C)c2ccccc21
InChIInChI=1S/C33H47NO2/c1-9-30(2,3)34-21-22(24-12-10-11-13-27(24)34)20-23-14-15-26-25(31(23,4)5)16-17-29-33(26,8)19-18-28(36-29)32(6,7)35/h9-13,16,21,23,26,28-29,35H,1,14-15,17-20H2,2-8H3/t23-,26+,28-,29-,33-/m0/s1
InChIKeyBDIIYBDSOVLLMV-CWHSOGNVSA-N
Species of MetaboliteComponentSourceComments
Aspergillus purpureus (ncbitaxon:91485) - PubMed (16462061)
ChEBI Ontology
Outgoing Relation(s)
Emindole PB (CHEBI:218455) is a organic heterotricyclic compound (CHEBI:26979)
Emindole PB (CHEBI:218455) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-[(3S,4aS,8S,10aR,10bS)-7,7,10b-trimethyl-8-[[1-(2-methylbut-3-en-2-yl)indol-3-yl]methyl]-2,3,4a,5,8,9,10,10a-octahydro-1H-benzo[]chromen-3-yl]propan-2-ol
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9773100ChemSpider