input word = C00002933

Metabolite InformationStructural formula
Name 1,2,3,4,6-Penta-O-galloyl-beta-D-glucose
(+)-1,2,3,4,6-Penta-O-galloyl-beta-D-glucose
Pentagalloyl-beta-D-glucose
penta-O-galloyl-glucose
Formula C41H32O26
Mw 940.1181812
CAS RN 14937-32-7
C_ID C00002933 ,
InChIKey QJYNZEYHSMRWBK-UGQULQAJNA-N
InChICode InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33+,34-,35+,41+/m0/s1
SMILES [C@@H]1([C@@H]([C@H]([C@H](O[C@H]1COC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)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
PlantaeAnacardiaceaeCotinus spp. Ref.
PlantaeAnacardiaceaeMangifera indica Ref.
PlantaeAnacardiaceaeRhus spp. Ref.
PlantaeCombretaceaeTerminalia chebula Ref.
PlantaeCrassulaceaeRhodiola sachalinensis Ref.
PlantaeFagaceaeQuercus infectoria Ref.
PlantaeGeraniaceaeGeranium robertianum Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeNymphaeaceaeNuphar japonicum Ref.
PlantaeOnagraceaeEpilobium spp. Ref.
PlantaeOnagraceaeFuschia spp. Ref.
PlantaePhyllanthaceaePhyllanthus emblica Ref.
PlantaeSapindaceaeAcer platanoides Ref.
PlantaeSaxifragaceaeTellima grandiflora Ref.
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