input word = C00035453

Metabolite InformationStructural formula
Name 1,2,6-Tri-O-galloyl-beta-glucopyranose
1,2,6-tri-O-Galloyl-beta-D-glucose
Formula C27H24O18
Mw 636.09626397
CAS RN 79886-49-0
C_ID C00035453 ,
InChIKey LLENXGNWVNSBQG-OHQJYYNGNA-N
InChICode InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)22(38)23(44-25(40)9-3-13(30)19(35)14(31)4-9)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27-/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)O)OC(=O)c1cc(c(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
PlantaeMelastomataceaeMonochaetum multiflorum Ref.
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OrganismMonochaetum multiflorum
ReferenceIsaza,Phytochem.,65,(2004),359