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CHEBI:201896 - Chaetoglobocin L

ChEBI IDCHEBI:201896
ChEBI NameChaetoglobocin L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H40N2O5
Net Charge0
Average Mass556.703
Monoisotopic Mass556.29372
SMILESC=C1C(O)C2C=CCC(C)C=C(C)C(O)C(=O)C=CC(=O)C23C(=O)NC(C(C)c2cnc4ccccc24)C3C1CC
InChIInChI=1S/C34H40N2O5/c1-6-22-21(5)32(40)25-12-9-10-18(2)16-19(3)31(39)27(37)14-15-28(38)34(25)29(22)30(36-33(34)41)20(4)24-17-35-26-13-8-7-11-23(24)26/h7-9,11-18,20,22,25,29-32,35,39-40H,5-6,10H2,1-4H3,(H,36,41)
InChIKeyPTACSLBMGBVOKZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Chaetoglobocin L (CHEBI:201896) is a indoles (CHEBI:24828)
IUPAC Name 
(1R,3Z,6R,7Z,9S,11Z,13R,14S,16S,17R,18S)-16-ethyl-6,14-dihydroxy-18-[(1R)-1-(1H-indol-3-yl)ethyl]-7,9-dimethyl-15-methylidene-19-azatricyclo[11.7.0.01,17]icosa-3,7,11-triene-2,5,20-trione