Biological and Environmental Research Ontology

Last uploaded: December 23, 2022
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Preferred Name

tannic acid
Synonyms

1,2,3,4,6-pentakis-O-{3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}-D-glucopyranose
Definitions

A gallotannin obtained by acylation of the five hydroxy groups of D-glucose by 3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoic acid (a gallic acid dimer).
ID

http://purl.obolibrary.org/obo/CHEBI_75211
alternative term

1,2,3,4,6-pentakis-O-{3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}-D-glucopyranose
bearer of

http://purl.obolibrary.org/obo/CHEBI_176497

http://purl.obolibrary.org/obo/CHEBI_50903

http://purl.obolibrary.org/obo/CHEBI_25212
charge

0
database_cross_reference

KEGG:C13452

MetaCyc:CPD-17778

CAS:1401-55-4

Wikipedia:Tannic_acid

PMID:21805983

PMID:23776675

PMID:22114686

Reaxys:8186386

KEGG:D01959

HMDB:HMDB0258711

PMID:23583842

FooDB:FDB001111

DrugBank:DB09372
definition

A gallotannin obtained by acylation of the five hydroxy groups of D-glucose by 3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoic acid (a gallic acid dimer).
formula

C76H52O46
has_exact_synonym

1,2,3,4,6-pentakis-O-{3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}-D-glucopyranose
has_obo_namespace

chebi_ontology
id

CHEBI:75211
in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR
inchi

InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76?/m1/s1
inchikey

LRBQNJMCXXYXIU-YIILYMKVSA-N
label

tannic acid
mass

1701.19850
monoisotopicmass

1700.17297
notation

CHEBI:75211
prefLabel

tannic acid
RO_0000087

http://purl.obolibrary.org/obo/CHEBI_176497

http://purl.obolibrary.org/obo/CHEBI_50903

http://purl.obolibrary.org/obo/CHEBI_25212
smiles

Oc1cc(cc(O)c1O)C(=O)Oc1cc(cc(O)c1O)C(=O)OC[C@H]1OC(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1
subClassOf

http://purl.obolibrary.org/obo/CHEBI_24182

http://purl.obolibrary.org/obo/CHEBI_35436

http://purl.obolibrary.org/obo/CHEBI_63367
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