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CHEBI:206575 - Emindole SC

ChEBI IDCHEBI:206575
ChEBI NameEmindole SC
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H41NO3
Net Charge0
Average Mass463.662
Monoisotopic Mass463.30864
SMILESCC(=O)O[C@H]1CC[C@@]2(C)[C@@H]([C@H](O)C[C@H]3Cc4c(nc5ccccc45)[C@@]32C)[C@]1(C)CCC=C(C)C
InChIInChI=1S/C30H41NO3/c1-18(2)10-9-14-28(4)25(34-19(3)32)13-15-29(5)26(28)24(33)17-20-16-22-21-11-7-8-12-23(21)31-27(22)30(20,29)6/h7-8,10-12,20,24-26,31,33H,9,13-17H2,1-6H3/t20-,24-,25+,26+,28-,29+,30-/m1/s1
InChIKeyHITQLOOAHMTOMZ-POENEODOSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (25944531)
ChEBI Ontology
Outgoing Relation(s)
Emindole SC (CHEBI:206575) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(1S,12R,14R,15R,16S,17S,20S)-14-hydroxy-1,16,20-trimethyl-16-(4-methylpent-3-enyl)-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-2(10),4,6,8-tetraen-17-yl] acetate
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78440453ChemSpider