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CHEBI:169263 - ({6-[2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-6-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid

ChEBI IDCHEBI:169263
ChEBI Name({6-[2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-6-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H36O20S
Net Charge0
Average Mass820.731
Monoisotopic Mass820.15206
SMILESO=S(=O)(O)OCC1OC(c2c(O)cc3c(c2O)C(c2c(O)cc(O)c4c2OC(c2ccc(O)c(O)c2)C(O)C4)C(O)C(c2ccc(O)c(O)c2)O3)C(O)C(O)C1O
InChIInChI=1S/C36H36O20S/c37-14-3-1-11(5-17(14)40)33-21(44)7-13-16(39)8-19(42)24(35(13)56-33)27-26-22(54-34(30(27)47)12-2-4-15(38)18(41)6-12)9-20(43)25(29(26)46)36-32(49)31(48)28(45)23(55-36)10-53-57(50,51)52/h1-6,8-9,21,23,27-28,30-34,36-49H,7,10H2,(H,50,51,52)
InChIKeyYJKASEDSROLSMT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
({6-[2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-6-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid (CHEBI:169263) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name 
[6-[2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulate
Manual XrefsDatabases
HMDB0126757HMDB