input word = C00035191

Metabolite InformationStructural formula
Name 1,4,6-Trigalloylglucose
Formula C27H24O18
Mw 636.09626397
CAS RN 94513-58-3
C_ID C00035191 ,
InChIKey SUAXOYITDJNGFM-CEROPAHZNA-N
InChICode InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-23(44-25(40)9-3-13(30)19(35)14(31)4-9)21(37)22(38)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)OC(=O)c1cc(c(c(c1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
PlantaeMelastomataceaeMonochaetum malabathuricum Ref.
PlantaeMelastomataceaeMonochaetum multiflorum Ref.
PlantaeMelastomataceaeMonochaetum normale Ref.
PlantaeMelastomataceaeTibouchina semidecandra Ref.
PlantaeTheaceaeCamellia sinensis Ref.
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