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CHEBI:198468 - Chaetoglobolsin-510

ChEBI IDCHEBI:198468
ChEBI NameChaetoglobolsin-510
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H42N2O2
Net Charge0
Average Mass510.722
Monoisotopic Mass510.32463
SMILESCC[C@@H]1C(C)=C[C@@H]2/C=C/C[C@H](C)/C=C(\C)CC/C=C/C(=O)[C@]23C(=O)N[C@@H]([C@H](C)c2cnc4ccccc24)[C@H]13
InChIInChI=1S/C34H42N2O2/c1-6-26-23(4)19-25-14-11-13-22(3)18-21(2)12-7-10-17-30(37)34(25)31(26)32(36-33(34)38)24(5)28-20-35-29-16-9-8-15-27(28)29/h8-11,14-20,22,24-26,31-32,35H,6-7,12-13H2,1-5H3,(H,36,38)/b14-11+,17-10+,21-18+/t22-,24+,25-,26+,31-,32-,34+/m0/s1
InChIKeyMMDCZRJSKCICND-PYZWPHHPSA-N
Species of MetaboliteComponentSourceComments
Phomopsis asparagi (ncbitaxon:83181) - PubMed (16309305)
ChEBI Ontology
Outgoing Relation(s)
Chaetoglobolsin-510 (CHEBI:198468) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1S,3E,7E,9S,11E,13S,16S,17R,18S)-16-ethyl-18-[(1R)-1-(1H-indol-3-yl)ethyl]-7,9,15-trimethyl-19-azatricyclo[11.7.0.01,17]icosa-3,7,11,14-tetraene-2,20-dione
Manual XrefsDatabases
9802374ChemSpider