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CHEBI:185573 - (6-{4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxidanesulfonic acid

Default Structure
ChEBI IDCHEBI:185573
ChEBI Name(6-{4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H36O19S
Net Charge0
Average Mass804.732
Monoisotopic Mass804.15715
SMILESO=S(=O)(O)OC1C(CO)OC(c2c(O)cc(O)c3c2OC(c2cccc(O)c2)C(O)C3c2c(O)cc(O)c3c2OC(c2ccc(O)c(O)c2)C(O)C3)C(O)C1O
InChIInChI=1S/C36H36O19S/c37-11-23-34(55-56(49,50)51)29(47)30(48)36(52-23)26-21(44)10-20(43)25-27(28(46)32(54-35(25)26)12-2-1-3-14(38)6-12)24-19(42)9-17(40)15-8-22(45)31(53-33(15)24)13-4-5-16(39)18(41)7-13/h1-7,9-10,22-23,27-32,34,36-48H,8,11H2,(H,49,50,51)
InChIKeyYMOMQOHRFGLTCS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
(6-{4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxidanesulfonic acid (CHEBI:185573) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name 
[6-[4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulate
Manual XrefsDatabases
HMDB0126830HMDB