CHEBI:4633 - Diospyrin

ChEBI IDCHEBI:4633
ChEBI NameDiospyrin
Stars
Last Modified9 June 2016
DownloadsMolfile
FormulaC22H14O6
Net Charge0
Average Mass374.348
Monoisotopic Mass374.07904
SMILESCc1cc(O)c2c(c1)C(=O)C(c1c(C)cc3c(c1O)C(=O)C=CC3=O)=CC2=O
InChIInChI=1S/C22H14O6/c1-9-5-12-19(16(25)6-9)17(26)8-13(21(12)27)18-10(2)7-11-14(23)3-4-15(24)20(11)22(18)28/h3-8,25,28H,1-2H3
InChIKeyWRFTYMHHWSAKSK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Diospyrin (CHEBI:4633) is a hydroxy-1,4-naphthoquinone (CHEBI:132157)
Diospyrin (CHEBI:4633) is a ring assembly (CHEBI:36820)
Synonym  Source
DiospyrinKEGG COMPOUND
Manual XrefsDatabases
C10332KEGG COMPOUND
C00002816KNApSAcK
Registry NumbersSources
CAS:28164-57-0KEGG COMPOUND