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CHEBI:219263 - Diaporisoindole E

ChEBI IDCHEBI:219263
ChEBI NameDiaporisoindole E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H31NO6
Net Charge0
Average Mass453.535
Monoisotopic Mass453.21514
SMILESCO[C@@]1(c2cc(C)cc3c2O[C@H](C(C)(C)O)CO3)NC(=O)c2c(O)ccc(CC=C(C)C)c21
InChIInChI=1S/C26H31NO6/c1-14(2)7-8-16-9-10-18(28)21-22(16)26(31-6,27-24(21)29)17-11-15(3)12-19-23(17)33-20(13-32-19)25(4,5)30/h7,9-12,20,28,30H,8,13H2,1-6H3,(H,27,29)/t20-,26+/m0/s1
InChIKeyMZRRIONMLYSODP-RXFWQSSRSA-N
Species of MetaboliteComponentSourceComments
Diaporthe (ncbitaxon:36922) - PubMed (30141629)
ChEBI Ontology
Outgoing Relation(s)
Diaporisoindole E (CHEBI:219263) is a benzodioxine (CHEBI:64096)
IUPAC Name 
(3S)-7-hydroxy-3-[(3S)-3-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl]-3-methoxy-4-(3-methylbut-2-enyl)-2H-isoindol-1-one
Manual XrefsDatabases
71048529ChemSpider