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CHEBI:172603 - Neodiospyrin

ChEBI IDCHEBI:172603
ChEBI NameNeodiospyrin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H14O6
Net Charge0
Average Mass374.348
Monoisotopic Mass374.07904
SMILESCc1cc(O)c2c(c1)C(=O)C=C(c1c(C)cc(O)c3c1C(=O)C=CC3=O)C2=O
InChIInChI=1S/C22H14O6/c1-9-5-11-15(25)8-12(22(28)19(11)16(26)6-9)18-10(2)7-17(27)20-13(23)3-4-14(24)21(18)20/h3-8,26-27H,1-2H3
InChIKeyLZAXNDGRDVWTFX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Neodiospyrin (CHEBI:172603) is a naphthoquinone (CHEBI:25481)
IUPAC Name 
8-hydroxy-5-(8-hydroxy-6-methyl-1,4-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione
Manual XrefsDatabases
HMDB0029538HMDB
17232394ChemSpider