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The Drug Ontology
Last uploaded:
December 20, 2024
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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 label |
1,2,3,4,6-pentakis-O-{3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}-D-glucopyranose
|
|
| 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 characteristic |
http://purl.obolibrary.org/obo/CHEBI_176497 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_176497 |
|
| 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
|
|
| has_RxCUI |
10328
|
|
| id |
CHEBI:75211
|
|
| in_subset | ||
| 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
|
|
| 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 |
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