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CHEBI:184937 - 3,6-Dihydroxy-2-[4-methoxy-3-(sulfooxy)phenyl]-7-sulfino-3,4-dihydro-2H-1-benzopyran-5-olate

ChEBI IDCHEBI:184937
ChEBI Name3,6-Dihydroxy-2-[4-methoxy-3-(sulfooxy)phenyl]-7-sulfino-3,4-dihydro-2H-1-benzopyran-5-olate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H15O11S2
Net Charge-1
Average Mass447.419
Monoisotopic Mass447.00613
SMILESCOc1ccc(C2Oc3cc(S(=O)O)c([O-])c(O)c3CC2O)cc1OS(=O)(=O)O
InChIInChI=1S/C16H16O11S2/c1-25-10-3-2-7(4-12(10)27-29(22,23)24)16-9(17)5-8-11(26-16)6-13(28(20)21)15(19)14(8)18/h2-4,6,9,16-19H,5H2,1H3,(H,20,21)(H,22,23,24)/p-1
InChIKeyDCRRXXMWVUQDOK-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
3,6-Dihydroxy-2-[4-methoxy-3-(sulfooxy)phenyl]-7-sulfino-3,4-dihydro-2H-1-benzopyran-5-olate (CHEBI:184937) is a ether (CHEBI:25698)
3,6-Dihydroxy-2-[4-methoxy-3-(sulfooxy)phenyl]-7-sulfino-3,4-dihydro-2H-1-benzopyran-5-olate (CHEBI:184937) is a flavonoids (CHEBI:72544)
IUPAC Name 
3,5-dihydroxy-2-(4-methoxy-3-sulooxyphenyl)-7-sulino-3,4-dihydro-2H-chromen-6-olate