CHEBI:182613 - [5-Hydroxy-2,4-bis[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 3,4,5-trihydroxy-2-(2-methoxy-2-oxoethyl)benzoate

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 [5-Hydroxy-2,4-bis[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 3,4,5-trihydroxy-2-(2-methoxy-2-oxoethyl)benzoate
ChEBI ID CHEBI:182613
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H32O24
Net Charge 0
Average Mass 860.639
Monoisotopic Mass 860.12835
InChI InChI=1S/C37H32O24/c1-56-24(45)9-14-15(8-22(44)29(50)25(14)46)36(55)60-32-31(59-34(53)12-4-18(40)27(48)19(41)5-12)30(51)23(10-57-33(52)11-2-16(38)26(47)17(39)3-11)58-37(32)61-35(54)13-6-20(42)28(49)21(43)7-13/h2-8,23,30-32,37-44,46-51H,9-10H2,1H3
InChIKey YMFLMFCNFNRUFO-UHFFFAOYSA-N
SMILES O1C(C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C=3C(CC(OC)=O)=C(O)C(O)=C(O)C3)C1OC(=O)C4=CC(O)=C(O)C(O)=C4)COC(=O)C5=CC(O)=C(O)C(O)=C5
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 [5-Hydroxy-2,4-bis[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 3,4,5-trihydroxy-2-(2-methoxy-2-oxoethyl)benzoate (CHEBI:182613) is a tannin (CHEBI:26848)
IUPAC Name
[5-hydroxy-2,4-bis[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 3,4,5-trihydroxy-2-(2-methoxy-2-oxoethyl)benzoate