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CHEBI:169792 - Rheidin C

ChEBI IDCHEBI:169792
ChEBI NameRheidin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H22O9
Net Charge0
Average Mass538.508
Monoisotopic Mass538.12638
SMILESCOc1cc(O)c2c(c1)C(C1c3cccc(O)c3C(=O)c3c(O)cc(C(=O)O)cc31)c1cc(C)cc(O)c1C2=O
InChIInChI=1S/C31H22O9/c1-12-6-16-24(18-10-14(40-2)11-22(35)28(18)30(37)26(16)20(33)7-12)23-15-4-3-5-19(32)25(15)29(36)27-17(23)8-13(31(38)39)9-21(27)34/h3-11,23-24,32-35H,1-2H3,(H,38,39)
InChIKeyNJQDJYRXLQEGRB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Rheidin C (CHEBI:169792) is a anthracenes (CHEBI:46955)
IUPAC Name 
9-(4,5-dihydroxy-2-methoxy-7-methyl-10-oxo-9H-anthracen-9-yl)-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid
Manual XrefsDatabases
HMDB0038508HMDB
4478879ChemSpider