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CHEBI:185075 - [4-({[3,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]oxy}carbonyl)-2,6-dihydroxyphenyl]oxidanesulfonic acid

ChEBI IDCHEBI:185075
ChEBI Name[4-({[3,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]oxy}carbonyl)-2,6-dihydroxyphenyl]oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O17S
Net Charge0
Average Mass564.430
Monoisotopic Mass564.04212
SMILESO=C(OC1OC(CO)C(O)C(OC(=O)c2cc(O)c(O)c(O)c2)C1O)c1cc(O)c(OS(=O)(=O)O)c(O)c1
InChIInChI=1S/C20H20O17S/c21-5-12-14(27)17(35-18(29)6-1-8(22)13(26)9(23)2-6)15(28)20(34-12)36-19(30)7-3-10(24)16(11(25)4-7)37-38(31,32)33/h1-4,12,14-15,17,20-28H,5H2,(H,31,32,33)
InChIKeyQMVRXTTXZIIDDZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
Roles Classification
Application:
astringent  A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
ChEBI Ontology
Outgoing Relation(s)
[4-({[3,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]oxy}carbonyl)-2,6-dihydroxyphenyl]oxidanesulfonic acid (CHEBI:185075) is a tannin (CHEBI:26848)
IUPAC Name 
[2-(3,5-dihydroxy-4-sulooxybenzoyl)oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
HMDB0133132HMDB