CHEBI:136612 - Theasinensin F

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ChEBI Name Theasinensin F
ChEBI ID CHEBI:136612
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C44H34O21
Net Charge 0
Average Mass 898.730
Monoisotopic Mass 898.15926
InChI InChI=1S/C44H34O21/c45-16-5-23(47)20-12-34(64-43(60)14-1-27(51)37(56)28(52)2-14)41(62-32(20)7-16)19-10-26(50)25(49)9-18(19)36-22(11-31(55)39(58)40(36)59)42-35(13-21-24(48)6-17(46)8-33(21)63-42)65-44(61)15-3-29(53)38(57)30(54)4-15/h1-11,34-35,41-42,45-59H,12-13H2/t34-,35-,41-,42-/m1/s1
InChIKey JLFHSPGTENNODT-WLDZFSAMSA-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@H]6OC=7C(C[C@H]6OC(=O)C8=CC(O)=C(O)C(O)=C8)=C(O)C=C(O)C7)=CC(O)=C(O)C5)=C(O)C(O)=C(O)C4)[H]
ChEBI Ontology
Outgoing Theasinensin F (CHEBI:136612) is a catechin (CHEBI:23053)
IUPAC Name
(4,4',5,5',6-Pentahydroxy-2,2'-biphenyldiyl)bis[(2R,3R)-5,7-dihydroxy-3,4-dihydro-2H-chromene-2,3-diyl] bis(3,4,5-trihydroxybenzoate)
Manual Xrefs Databases
410677 ChemSpider
HMDB0038830 HMDB
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Last Modified
22 марта 2017