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CHEBI:216699 - Diaporisoindole A

ChEBI IDCHEBI:216699
ChEBI NameDiaporisoindole A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H29NO5
Net Charge0
Average Mass423.509
Monoisotopic Mass423.20457
SMILESCC(C)=CCc1ccc(O)c2c1[C@@H](c1cc(C)cc3c1O[C@H](C(C)(C)O)CO3)NC2=O
InChIInChI=1S/C25H29NO5/c1-13(2)6-7-15-8-9-17(27)21-20(15)22(26-24(21)28)16-10-14(3)11-18-23(16)31-19(12-30-18)25(4,5)29/h6,8-11,19,22,27,29H,7,12H2,1-5H3,(H,26,28)/t19-,22+/m0/s1
InChIKeyFMZQVUPZAJIUSS-SIKLNZKXSA-N
Species of MetaboliteComponentSourceComments
Diaporthe (ncbitaxon:36922) - PubMed (28961015)
ChEBI Ontology
Outgoing Relation(s)
Diaporisoindole A (CHEBI:216699) 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]-4-(3-methylbut-2-enyl)-2,3-dihydroisoindol-1-one
Manual XrefsDatabases
62285747ChemSpider