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CHEBI:185388 - {2-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxidanesulfonic acid

Default Structure
ChEBI IDCHEBI:185388
ChEBI Name{2-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H36O19S
Net Charge0
Average Mass804.732
Monoisotopic Mass804.15715
SMILESO=S(=O)(O)OC1C(c2c(O)cc(O)c3c2OC(c2ccc(O)c(O)c2)C(O)C3c2c(O)cc(O)c3c2OC(c2cccc(O)c2)C(O)C3)OC(CO)C(O)C1O
InChIInChI=1S/C36H36O19S/c37-11-23-28(46)30(48)36(55-56(49,50)51)35(52-23)26-21(44)10-20(43)25-27(29(47)32(54-34(25)26)13-4-5-16(39)18(41)7-13)24-19(42)9-17(40)15-8-22(45)31(53-33(15)24)12-2-1-3-14(38)6-12/h1-7,9-10,22-23,27-32,35-48H,8,11H2,(H,49,50,51)
InChIKeyZLDDUXYVPFLYJJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
{2-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxidanesulfonic acid (CHEBI:185388) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name 
[2-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] hydrogen sulate
Manual XrefsDatabases
HMDB0126846HMDB