input word = C00008921

Metabolite InformationStructural formula
Name Theaflavonin
Formula C43H36O24
Mw 936.15965208
CAS RN 144207-59-0
C_ID C00008921 ,
InChIKey LUYANQLLUZLLRS-KRFOBKLPNA-N
InChICode InChI=1S/C43H36O24/c44-10-26-33(56)37(60)38(61)43(66-26)67-41-36(59)29-18(48)4-13(46)6-24(29)64-40(41)16-8-22(52)32(55)35(58)28(16)27-15(7-21(51)31(54)34(27)57)39-25(9-14-17(47)3-12(45)5-23(14)63-39)65-42(62)11-1-19(49)30(53)20(50)2-11/h1-8,25-26,33,37-39,43-58,60-61H,9-10H2/t25-,26-,33-,37+,38-,39-,43+/m1/s1
SMILES O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1-c1c(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)cc(O)c(O)c1O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis var. assamica Ref.
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OrganismCamellia sinensis var. assamica
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Hashimoto,Chem.Pharm.Bull.,40,(1992),1383