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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
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
ChEBI ID CHEBI:184699
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H24O21S
Net Charge 0
Average Mass 716.530
Monoisotopic Mass 716.05308
InChI InChI=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)
InChIKey DEIIRWIQPPZRBF-UHFFFAOYSA-N
SMILES S(OC=1C(O)=CC(C(OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(OC2CO)OC(=O)C4=CC(O)=C(O)C(O)=C4)=O)=CC1O)(O)(=O)=O
Metabolite of Species Details
Bos taurus (NCBI:txid9913) Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] See: MetaboLights Study
Roles Classification
Application(s): astringent
A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
(via tannin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing [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 Xref Database
HMDB0133124 HMDB
View more database links