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CHEBI:184498 - (5-{8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid

ChEBI IDCHEBI:184498
ChEBI Name(5-{8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H22O14S
Net Charge0
Average Mass638.559
Monoisotopic Mass638.07303
SMILESO=C1CC(c2ccc(O)c(OS(=O)(=O)O)c2)Oc2c1c(O)cc(O)c2C1C(=O)c2c(O)cc(O)cc2OC1c1ccc(O)cc1
InChIInChI=1S/C30H22O14S/c31-14-4-1-12(2-5-14)29-27(28(38)25-17(34)8-15(32)9-23(25)43-29)26-19(36)10-18(35)24-20(37)11-21(42-30(24)26)13-3-6-16(33)22(7-13)44-45(39,40)41/h1-10,21,27,29,31-36H,11H2,(H,39,40,41)
InChIKeyOAETVHHGWXQXDE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
(5-{8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid (CHEBI:184498) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name 
[5-[8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxyphenyl] hydrogen sulate
Manual XrefsDatabases
HMDB0129218HMDB