CHEBI:136610 - Theasinensin B

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ChEBI Name Theasinensin B
ChEBI ID CHEBI:136610
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C37H30O18
Net Charge 0
Average Mass 762.625
Monoisotopic Mass 762.14321
InChI InChI=1S/C37H30O18/c38-12-3-18(40)14-7-24(46)35(53-25(14)5-12)16-8-22(44)31(48)33(50)28(16)29-17(9-23(45)32(49)34(29)51)36-27(10-15-19(41)4-13(39)6-26(15)54-36)55-37(52)11-1-20(42)30(47)21(43)2-11/h1-6,8-9,24,27,35-36,38-51H,7,10H2/t24-,27-,35-,36-/m1/s1
InChIKey CTVAVEOYQKVFFY-DUSGSIEYSA-N
SMILES O1[C@@]([C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)CC=3C1=CC(O)=CC3O)(C=4C(C=5C([C@]6(OC=7C(C[C@H]6O)=C(O)C=C(O)C7)[H])=CC(O)=C(O)C5O)=C(O)C(O)=C(O)C4)[H]
Roles Classification
Application(s): astringent
A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
(via tannin )
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ChEBI Ontology
Outgoing Theasinensin B (CHEBI:136610) is a tannin (CHEBI:26848)
IUPAC Name
(2R,3R)-2-{2',3',4,4',5,6-Hexahydroxy-6'-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-2-biphenylyl}-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
Manual Xrefs Databases
410676 ChemSpider
HMDB0038359 HMDB
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Last Modified
22 March 2017