CHEBI:219258 - Diaporisoindole D

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Diaporisoindole D
ChEBI ID CHEBI:219258
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H31NO6
Net Charge 0
Average Mass 453.535
Monoisotopic Mass 453.21514
InChI InChI=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
InChIKey MZRRIONMLYSODP-FNZWTVRRSA-N
SMILES O=C1N[C@](OC)(C2=C3O[C@H](C(O)(C)C)COC3=CC(=C2)C)C=4C1=C(O)C=CC4CC=C(C)C
Metabolite of Species Details
Diaporthe (NCBI:txid36922) See: PubMed
ChEBI Ontology
Outgoing Diaporisoindole D (CHEBI:219258) is a benzodioxine (CHEBI:64096)
IUPAC Name
(3R)-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 Xref Database
71048528 ChemSpider
View more database links