input word = C00058277

Metabolite InformationStructural formula
Name Theaflavanoside II
Formula C32H40O18
Mw 712.22146448
CAS RN 943785-09-9
C_ID C00058277
InChIKey VWZAZEGRFSUWHJ-FBYZIGHQSA-N
InChICode InChI=1S/C32H40O18/c1-11-22(37)25(40)28(43)31(46-11)50-29-26(41)24(39)20(10-45-30-27(42)23(38)17(36)9-44-30)49-32(29)47-14-6-15(34)21-16(35)8-18(48-19(21)7-14)12-2-4-13(33)5-3-12/h2-7,11,17-18,20,22-34,36-43H,8-10H2,1H3/t11-,17+,18-,20+,22-,23-,24+,25+,26-,27+,28+,29+,30-,31-,32+/m0/s1
SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)cc3)CC4=O)O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis Ref.
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