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CHEBI:185112 - [(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}-3,4,5-trihydroxyoxan-2-yl)methoxy]sulfonic acid

ChEBI IDCHEBI:185112
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}-3,4,5-trihydroxyoxan-2-yl)methoxy]sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H36O19S
Net Charge0
Average Mass804.732
Monoisotopic Mass804.15715
SMILESO=S(=O)(O)OCC1OC(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)C(O)C1O
InChIInChI=1S/C36H36O19S/c37-14-3-1-2-12(6-14)33-29(46)27(24-19(41)9-17(39)15-8-22(44)32(54-34(15)24)13-4-5-16(38)18(40)7-13)25-20(42)10-21(43)26(35(25)55-33)36-31(48)30(47)28(45)23(53-36)11-52-56(49,50)51/h1-7,9-10,22-23,27-33,36-48H,8,11H2,(H,49,50,51)
InChIKeyGLKSXPRXEVHZNV-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}-3,4,5-trihydroxyoxan-2-yl)methoxy]sulfonic acid (CHEBI:185112) 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]-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulate
Manual XrefsDatabases
HMDB0126828HMDB