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CHEBI:219204 - (2R,3E,5S,7S,9E,11R,15R,16R)-16-benzyl-2-hydroxy-5,7,13,14-tetramethyl-17-azatricyclo[9.7.0.01,15]octadeca-3,9,13-triene-6,12,18-trione

Default Structure
ChEBI IDCHEBI:219204
ChEBI Name(2R,3E,5S,7S,9E,11R,15R,16R)-16-benzyl-2-hydroxy-5,7,13,14-tetramethyl-17-azatricyclo[9.7.0.01,15]octadeca-3,9,13-triene-6,12,18-trione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H33NO4
Net Charge0
Average Mass447.575
Monoisotopic Mass447.24096
SMILESCC1=C(C)[C@H]2[C@@H](Cc3ccccc3)NC(=O)C23[C@H](O)/C=C/[C@H](C)C(=O)[C@@H](C)C/C=C/[C@H]3C1=O
InChIInChI=1S/C28H33NO4/c1-16-9-8-12-21-26(32)19(4)18(3)24-22(15-20-10-6-5-7-11-20)29-27(33)28(21,24)23(30)14-13-17(2)25(16)31/h5-8,10-14,16-17,21-24,30H,9,15H2,1-4H3,(H,29,33)/b12-8+,14-13+/t16-,17-,21-,22+,23+,24-,28?/m0/s1
InChIKeyXDZFFBKZLFLEIL-ATBFVTNGSA-N
Species of MetaboliteComponentSourceComments
Metarhizium guizhouense (ncbitaxon:169041) - PubMed (25863432)
ChEBI Ontology
Outgoing Relation(s)
(2R,3E,5S,7S,9E,11R,15R,16R)-16-benzyl-2-hydroxy-5,7,13,14-tetramethyl-17-azatricyclo[9.7.0.01,15]octadeca-3,9,13-triene-6,12,18-trione (CHEBI:219204) is a isoindoles (CHEBI:24897)
IUPAC Name 
(2R,3E,5S,7S,9E,11R,15R,16R)-16-benzyl-2-hydroxy-5,7,13,14-tetramethyl-17-azatricyclo[9.7.0.01,15]octadeca-3,9,13-triene-6,12,18-trione
Manual XrefsDatabases
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