EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:219291 - Diaporindene D

ChEBI IDCHEBI:219291
ChEBI NameDiaporindene D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30O6
Net Charge0
Average Mass426.509
Monoisotopic Mass426.20424
SMILESCc1cc2c(c([C@@H]3c4c(ccc(O)c4C=O)C[C@H]3C(C)(C)O)c1)O[C@H](C(C)(C)O)CO2
InChIInChI=1S/C25H30O6/c1-13-8-15(23-19(9-13)30-12-20(31-23)25(4,5)29)22-17(24(2,3)28)10-14-6-7-18(27)16(11-26)21(14)22/h6-9,11,17,20,22,27-29H,10,12H2,1-5H3/t17-,20+,22+/m1/s1
InChIKeyVKNKNPXXDILXOC-AGHHOFFYSA-N
Species of MetaboliteComponentSourceComments
Diaporthe (ncbitaxon:36922) - PubMed (30141629)
ChEBI Ontology
Outgoing Relation(s)
Diaporindene D (CHEBI:219291) is a benzodioxine (CHEBI:64096)
IUPAC Name 
(2R,3S)-5-hydroxy-2-(2-hydroxypropan-2-yl)-3-[(3S)-3-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl]-2,3-dihydro-1H-indene-4-carbaldehyde
Manual XrefsDatabases
71048526ChemSpider