input word = C00013255

Metabolite InformationStructural formula
Name Catechin 5-O-beta-D-glucopyranoside-4'-Me
Formula C22H26O11
Mw 466.14751167
CAS RN
C_ID C00013255 ,
InChIKey GPVCBKWGXPUYOQ-RNTVSYMQNA-N
InChICode InChI=1S/C22H26O11/c1-30-14-3-2-9(4-12(14)25)21-13(26)7-11-15(31-21)5-10(24)6-16(11)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-6,13,17-29H,7-8H2,1H3/t13-,17-,18+,19+,20-,21-,22-/m1/s1
SMILES c12c(cc(cc1O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O[C@@H]([C@@H](C2)O)c1cc(c(cc1)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeCelastrus angulatus Ref.
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