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CHEBI:184699 - [2,6-dihydroxy-4-({[5-hydroxy-2-(hydroxymethyl)-4,6-bis(3,4,5-trihydroxybenzoyloxy)oxan-3-yl]oxy}carbonyl)phenyl]oxidanesulfonic acid

Default Structure
ChEBI IDCHEBI:184699
ChEBI Name[2,6-dihydroxy-4-({[5-hydroxy-2-(hydroxymethyl)-4,6-bis(3,4,5-trihydroxybenzoyloxy)oxan-3-yl]oxy}carbonyl)phenyl]oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H24O21S
Net Charge0
Average Mass716.535
Monoisotopic Mass716.05308
SMILESO=C(OC1OC(CO)C(OC(=O)c2cc(O)c(OS(=O)(=O)O)c(O)c2)C(OC(=O)c2cc(O)c(O)c(O)c2)C1O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C27H24O21S/c28-7-17-22(45-24(38)10-5-15(33)21(16(34)6-10)48-49(41,42)43)23(46-25(39)8-1-11(29)18(35)12(30)2-8)20(37)27(44-17)47-26(40)9-3-13(31)19(36)14(32)4-9/h1-6,17,20,22-23,27-37H,7H2,(H,41,42,43)
InChIKeyDEIIRWIQPPZRBF-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)
[2,6-dihydroxy-4-({[5-hydroxy-2-(hydroxymethyl)-4,6-bis(3,4,5-trihydroxybenzoyloxy)oxan-3-yl]oxy}carbonyl)phenyl]oxidanesulfonic acid (CHEBI:184699) is a tannin (CHEBI:26848)
IUPAC Name 
[3-(3,5-dihydroxy-4-sulooxybenzoyl)oxy-5-hydroxy-2-(hydroxymethyl)-6-(3,4,5-trihydroxybenzoyl)oxyoxan-4-yl] 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
HMDB0133124HMDB