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CHEBI:184331 - 2',4,4',5,5'-Pentahydroxy-7'-methyl-10,10'-dioxo-9H,9'H,10H,10'H-[9,9'-bianthracene]-2-carboxylic acid

ChEBI IDCHEBI:184331
ChEBI Name2',4,4',5,5'-Pentahydroxy-7'-methyl-10,10'-dioxo-9H,9'H,10H,10'H-[9,9'-bianthracene]-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H20O9
Net Charge0
Average Mass524.481
Monoisotopic Mass524.11073
SMILESCc1cc(O)c2c(c1)C(C1c3cccc(O)c3C(=O)c3c(O)cc(C(=O)O)cc31)c1cc(O)cc(O)c1C2=O
InChIInChI=1S/C30H20O9/c1-11-5-15-23(17-9-13(31)10-21(35)27(17)29(37)25(15)19(33)6-11)22-14-3-2-4-18(32)24(14)28(36)26-16(22)7-12(30(38)39)8-20(26)34/h2-10,22-23,31-35H,1H3,(H,38,39)
InChIKeyRRIVQXPGYSPESH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913)
spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein-Friesian cattle [26105007]
spermatozoon (FMA:67338) MetaboLights (MTBLS1071) Strain: Holstein-Friesian cattle [26105007]
ChEBI Ontology
Outgoing Relation(s)
2',4,4',5,5'-Pentahydroxy-7'-methyl-10,10'-dioxo-9H,9'H,10H,10'H-[9,9'-bianthracene]-2-carboxylic acid (CHEBI:184331) is a anthracenes (CHEBI:46955)
IUPAC Name 
4,5-dihydroxy-10-oxo-9-(2,4,5-trihydroxy-7-methyl-10-oxo-9H-anthracen-9-yl)-9H-anthracene-2-carboxylic acid
Manual XrefsDatabases
4478877ChemSpider
HMDB0038507HMDB