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CHEBI:185237 - (5-{4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid

ChEBI IDCHEBI:185237
ChEBI Name(5-{4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H36O20S
Net Charge0
Average Mass820.731
Monoisotopic Mass820.15206
SMILESO=S(=O)(O)Oc1cc(C2Oc3cc(O)c(C4OC(CO)C(O)C(O)C4O)c(O)c3C(c3c(O)cc(O)c4c3OC(c3ccc(O)c(O)c3)C(O)C4)C2O)ccc1O
InChIInChI=1S/C36H36O20S/c37-10-23-28(45)31(48)32(49)36(54-23)25-19(43)9-22-26(29(25)46)27(30(47)34(53-22)12-2-4-15(39)21(6-12)56-57(50,51)52)24-18(42)8-16(40)13-7-20(44)33(55-35(13)24)11-1-3-14(38)17(41)5-11/h1-6,8-9,20,23,27-28,30-34,36-49H,7,10H2,(H,50,51,52)
InChIKeyWVKYVFAXMDOTMM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
(5-{4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid (CHEBI:185237) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name 
[5-[4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyphenyl] hydrogen sulate
Manual XrefsDatabases
HMDB0126755HMDB