input word = C00008920

Metabolite InformationStructural formula
Name Desgalloyl theaflavonin
Formula C36H32O20
Mw 784.14869347
CAS RN 143883-95-8
C_ID C00008920 ,
InChIKey KJHVUKFVUVEKRC-JBHVOJMTNA-N
InChICode InChI=1S/C36H32O20/c37-8-21-27(47)31(51)32(52)36(55-21)56-35-30(50)24-15(41)2-10(39)4-20(24)54-34(35)13-7-17(43)26(46)29(49)23(13)22-12(6-16(42)25(45)28(22)48)33-18(44)5-11-14(40)1-9(38)3-19(11)53-33/h1-4,6-7,18,21,27,31-33,36-49,51-52H,5,8H2/t18-,21-,27-,31+,32-,33-,36+/m1/s1
SMILES O=c1c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)c(-c2cc(O)c(O)c(O)c2-c2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(O)c2O)oc2cc(O)cc(O)c12
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