EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:182613
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
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H32O24
Net Charge0
Average Mass860.639
Monoisotopic Mass860.12835
SMILESCOC(=O)Cc1c(C(=O)OC2C(OC(=O)c3cc(O)c(O)c(O)c3)OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C2OC(=O)c2cc(O)c(O)c(O)c2)cc(O)c(O)c1O
InChIInChI=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
InChIKeyYMFLMFCNFNRUFO-UHFFFAOYSA-N
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)
[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