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 O=C(OC[C@H]1OC(OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCornaceaeCamptotheca acuminata Ref.
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeCornus officinalis Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeMelastomataceaeMonochaetum multiflorum Ref.
zoom in