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CHEBI:219216 - (2R,3E,5R,7S,9E,11S,14R,15R,16R)-16-benzyl-2,5-dihydroxy-5,7,13,14-tetramethyl-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-triene-6,18-dione

ChEBI IDCHEBI:219216
ChEBI Name(2R,3E,5R,7S,9E,11S,14R,15R,16R)-16-benzyl-2,5-dihydroxy-5,7,13,14-tetramethyl-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-triene-6,18-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H35NO4
Net Charge0
Average Mass449.591
Monoisotopic Mass449.25661
SMILESCC1=C[C@@H]2/C=C/C[C@H](C)C(=O)[C@](C)(O)/C=C/[C@@H](O)C23C(=O)N[C@H](Cc2ccccc2)[C@@H]3[C@H]1C
InChIInChI=1S/C28H35NO4/c1-17-9-8-12-21-15-18(2)19(3)24-22(16-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)25(17)31/h5-8,10-15,17,19,21-24,30,33H,9,16H2,1-4H3,(H,29,32)/b12-8+,14-13+/t17-,19-,21-,22+,23+,24-,27+,28?/m0/s1
InChIKeyTUOTYDFTSBXZFM-QHLNMVOJSA-N
Species of MetaboliteComponentSourceComments
Metarhizium guizhouense (ncbitaxon:169041) - PubMed (25863432)
ChEBI Ontology
Outgoing Relation(s)
(2R,3E,5R,7S,9E,11S,14R,15R,16R)-16-benzyl-2,5-dihydroxy-5,7,13,14-tetramethyl-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-triene-6,18-dione (CHEBI:219216) is a isoindoles (CHEBI:24897)
IUPAC Name 
(2R,3E,5R,7S,9E,11S,14R,15R,16R)-16-benzyl-2,5-dihydroxy-5,7,13,14-tetramethyl-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-triene-6,18-dione
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