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CHEBI:191638 - Chaetoglobosin N

Default Structure
ChEBI IDCHEBI:191638
ChEBI NameChaetoglobosin N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H38N2O5
Net Charge0
Average Mass542.676
Monoisotopic Mass542.27807
SMILESC/C1=C/C(C)C/C=C/C2C3OC3(C)C(C)C3C(C(C)c4cnc5ccccc45)NC(=O)C23C(=O)CCC(=O)C1=O
InChIInChI=1S/C33H38N2O5/c1-17-9-8-11-23-30-32(5,40-30)20(4)27-28(19(3)22-16-34-24-12-7-6-10-21(22)24)35-31(39)33(23,27)26(37)14-13-25(36)29(38)18(2)15-17/h6-8,10-12,15-17,19-20,23,27-28,30,34H,9,13-14H2,1-5H3,(H,35,39)/b11-8+,18-15-
InChIKeyKPZHIOQEYKRXQD-OIJFLVMVSA-N
Species of MetaboliteComponentSourceComments
Solanum tuberosum (ncbitaxon:4113) leaf (BTO:0000713) MetaboLights (MTBLS4365)
ChEBI Ontology
Outgoing Relation(s)
Chaetoglobosin N (CHEBI:191638) is a indoles (CHEBI:24828)
IUPAC Name 
(7Z,11E)-19-[1-(1H-indol-3-yl)ethyl]-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-7,11-diene-2,5,6,21-tetrone
Manual XrefsDatabases
35013413ChemSpider
HMDB0031919HMDB