input word = C00032577

Metabolite InformationStructural formula
Name 1,2,3,6-Tetra-O-galloyl-beta-D-glucose
1,2,3,6-tetra-O-Galloyl-beta-D-glucose
Formula C34H38O22
Mw 798.1854729
CAS RN 79886-50-3
C_ID C00032577 ,
InChIKey RATQVALKDAUZBW-JYJSKMCINA-N
InChICode InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-27(47)28(54-31(49)11-3-16(37)24(44)17(38)4-11)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27-,28+,29-,34+/m1/s1
SMILES [C@H]1([C@H]([C@@H]([C@H](O[C@H]1OC(=O)c1cc(c(c(c1)O)O)O)COC(=O)c1cc(c(c(c1)O)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeCornulaca monacantha Ref.
PlantaeCornaceaeCamptotheca acuminata Ref.
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeCornus officinalis Ref.
PlantaeCrassulaceaeRhodiola sachalinensis Ref.
PlantaeJuglandaceaeJuglans mandshurica Ref.
PlantaePaeoniaceaePaeonia albiflora Ref.
PlantaePaeoniaceaePaeonia lactiflora wild. Ref.
PlantaePhyllanthaceaePhyllanthus emblica Ref.
zoom in