input word = C00057839

Metabolite InformationStructural formula
Name 3,4,5-Trimethoxyphenyl 2,6-digalloylglucoside
Formula C29H30O17
Mw 650.14829954
CAS RN 125288-23-5
C_ID C00057839
InChIKey HGBGRHUFMIOHAP-QAJMKMLOSA-N
InChICode InChI=1S/C29H30O17/c1-40-18-8-13(9-19(41-2)25(18)42-3)44-29-26(46-28(39)12-6-16(32)22(35)17(33)7-12)24(37)23(36)20(45-29)10-43-27(38)11-4-14(30)21(34)15(31)5-11/h4-9,20,23-24,26,29-37H,10H2,1-3H3/t20-,23-,24+,26-,29-/m1/s1
SMILES COc1cc(O[C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2cc(O)c(O)c(O)c2)cc(OC)c1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaePsidium guajava Ref.
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