input word = C00055463

Metabolite InformationStructural formula
Name 6-Cinnamoyl-1-galloylglucose
Formula C22H22O11
Mw 462.11621155
CAS RN 115746-69-5
C_ID C00055463
InChIKey REBRERQNUHGTMS-PCGJYRBUSA-N
InChICode InChI=1S/C22H22O11/c23-13-8-12(9-14(24)17(13)26)21(30)33-22-20(29)19(28)18(27)15(32-22)10-31-16(25)7-6-11-4-2-1-3-5-11/h1-9,15,18-20,22-24,26-29H,10H2/b7-6+/t15-,18-,19+,20-,22+/m1/s1
SMILES O=C(/C=C/c1ccccc1)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRheum spp. Ref.
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