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 c1(cc(c2c(c1)O[C@@H]([C@@H](C2)O)c1cc(c(c(c1c1c(cc(c(c1O)O)O)c1oc2c(c(=O)c1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c(cc(c2)O)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis var. assamica Ref.
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