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CHEBI:216710 - Diaporisoindole C

ChEBI IDCHEBI:216710
ChEBI NameDiaporisoindole C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H54N2O8
Net Charge0
Average Mass810.988
Monoisotopic Mass810.38802
SMILESCC(C)=CCc1ccc(O)c2c1C(c1cc(C)cc3c1O[C@H](C(C)(C)O)CO3)=NC2=C1N=C(c2cc(C)cc3c2O[C@H](C(C)(C)O)CO3)c2c(CC=C(C)C)ccc(O)c21
InChIInChI=1S/C50H54N2O8/c1-25(2)11-13-29-15-17-33(53)41-39(29)43(31-19-27(5)21-35-47(31)59-37(23-57-35)49(7,8)55)51-45(41)46-42-34(54)18-16-30(14-12-26(3)4)40(42)44(52-46)32-20-28(6)22-36-48(32)60-38(24-58-36)50(9,10)56/h11-12,15-22,37-38,53-56H,13-14,23-24H2,1-10H3/t37-,38-/m0/s1
InChIKeyHDRUNFXHQOQTHT-UWXQCODUSA-N
Species of MetaboliteComponentSourceComments
Diaporthe (ncbitaxon:36922) - PubMed (28961015)
ChEBI Ontology
Outgoing Relation(s)
Diaporisoindole C (CHEBI:216710) is a benzodioxine (CHEBI:64096)
IUPAC Name 
3-[7-hydroxy-3-[(3S)-3-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl]-4-(3-methylbut-2-enyl)isoindol-1-ylidene]-1-[(3S)-3-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl]-7-(3-methylbut-2-enyl)isoindol-4-ol