EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:212591 - 7-O-acetylemindole SB

ChEBI IDCHEBI:212591
ChEBI Name7-O-acetylemindole SB
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H41NO2
Net Charge0
Average Mass447.663
Monoisotopic Mass447.31373
SMILESCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3Cc4c(nc5ccccc45)[C@@]32C)[C@]1(C)CCC=C(C)C
InChIInChI=1S/C30H41NO2/c1-19(2)10-9-16-28(4)25-14-13-21-18-23-22-11-7-8-12-24(22)31-27(23)30(21,6)29(25,5)17-15-26(28)33-20(3)32/h7-8,10-12,21,25-26,31H,9,13-18H2,1-6H3/t21-,25-,26-,28-,29-,30+/m0/s1
InChIKeyDSXLGNIJDSGMKC-DOAVDDFWSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (28498358)
ChEBI Ontology
Outgoing Relation(s)
7-O-acetylemindole SB (CHEBI:212591) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(1S,12S,15R,16S,17S,20S)-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
Manual XrefsDatabases
61708673ChemSpider