input word = C00063569

Metabolite InformationStructural formula
Name 3,4,6-Tri-O-galloyl-D-glucose
Formula C27H24O18
Mw 636.09626397
CAS RN 99523-99-6
C_ID C00063569
InChIKey HXGMGMDFGQPAPZ-PLXZFBFJSA-N
InChICode InChI=1S/C27H24O18/c28-7-18(35)23(44-26(41)10-3-14(31)21(38)15(32)4-10)24(45-27(42)11-5-16(33)22(39)17(34)6-11)19(36)8-43-25(40)9-1-12(29)20(37)13(30)2-9/h1-7,18-19,23-24,29-39H,8H2/t18-,19+,23+,24+/m0/s1
SMILES O=CC(O)C(OC(=O)c1cc(O)c(O)c(O)c1)C(OC(=O)c1cc(O)c(O)c(O)c1)C(O)COC(=O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
PlantaePhyllanthaceaePhyllanthus emblica Ref.
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