input word = C00055239

Metabolite InformationStructural formula
Name 2-Cinnamoyl-1-galloylglucose
Formula C22H22O11
Mw 462.11621155
CAS RN 56994-83-3
C_ID C00055239
InChIKey FISMJUPMCGKNNX-PCGJYRBUSA-N
InChICode InChI=1S/C22H22O11/c23-10-15-18(28)19(29)20(32-16(26)7-6-11-4-2-1-3-5-11)22(31-15)33-21(30)12-8-13(24)17(27)14(25)9-12/h1-9,15,18-20,22-25,27-29H,10H2/b7-6+/t15-,18-,19+,20-,22+/m1/s1
SMILES O=C(/C=C/c1ccccc1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(O)c2)O[C@H](CO)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRheum spp. Ref.
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