CHEBI:9518 - Theasinensin A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Theasinensin A
ChEBI ID CHEBI:9518
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C44H34O22
Net Charge 0
Average Mass 914.729
Monoisotopic Mass 914.15417
InChI InChI=1S/C44H34O22/c45-15-5-21(47)17-11-31(65-43(61)13-1-23(49)35(55)24(50)2-13)41(63-29(17)7-15)19-9-27(53)37(57)39(59)33(19)34-20(10-28(54)38(58)40(34)60)42-32(12-18-22(48)6-16(46)8-30(18)64-42)66-44(62)14-3-25(51)36(56)26(52)4-14/h1-10,31-32,41-42,45-60H,11-12H2/t31-,32-,41-,42-/m1/s1
InChIKey YUULFXAQUWEYNP-GXAWFILRSA-N
SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1-c1c(O)c(O)c(O)cc1[C@H]1Oc2cc(O)cc(O)c2C[C@H]1OC(=O)c1cc(O)c(O)c(O)c1
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 Theasinensin A (CHEBI:9518) is a tannin (CHEBI:26848)
Synonym Source
Theasinensin A KEGG COMPOUND
Manual Xrefs Databases
C00001010 KNApSAcK
C09972 KEGG COMPOUND
HMDB0038360 HMDB
View more database links
Registry Number Type Source
89064-31-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014