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CHEBI:169884 - Tricetin 7,3'-disulfate

ChEBI IDCHEBI:169884
ChEBI NameTricetin 7,3'-disulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H10O13S2
Net Charge0
Average Mass462.366
Monoisotopic Mass461.95628
SMILESO=c1cc(-c2cc(O)c(O)c(OS(=O)(=O)O)c2)oc2cc(OS(=O)(=O)O)cc(O)c12
InChIInChI=1S/C15H10O13S2/c16-8-3-7(27-29(20,21)22)4-12-14(8)9(17)5-11(26-12)6-1-10(18)15(19)13(2-6)28-30(23,24)25/h1-5,16,18-19H,(H,20,21,22)(H,23,24,25)
InChIKeyAMHUUBYQMLOHJR-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)
Tricetin 7,3'-disulfate (CHEBI:169884) is a flavones (CHEBI:24043)
IUPAC Name 
[2,3-dihydroxy-5-(5-hydroxy-4-oxo-7-sulooxychromen-2-yl)phenyl] hydrogen sulate
Manual XrefsDatabases
LMPK12110849LIPID MAPS
24843864ChemSpider