input word = C00032670

Metabolite InformationStructural formula
Name 6-O-(E)-Caffeoyl-1,3,4-tri-O-galloyl-beta-D-glucopyranose
Formula C36H30O21
Mw 798.12795803
CAS RN 359819-48-0
C_ID C00032670 ,
InChIKey FUVDIBXEXWCWKY-MEIOXNSUNA-N
InChICode InChI=1S/C36H30O21/c37-17-3-1-13(5-18(17)38)2-4-26(45)53-12-25-31(55-33(50)14-6-19(39)27(46)20(40)7-14)32(56-34(51)15-8-21(41)28(47)22(42)9-15)30(49)36(54-25)57-35(52)16-10-23(43)29(48)24(44)11-16/h1-11,25,30-32,36-44,46-49H,12H2/b4-2+/t25-,30-,31-,32-,36+/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1COC(=O)/C=C\c1ccc(c(c1)O)O)OC(=O)c1cc(c(c(c1)O)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBalanophoraceaeBalanophora japonica Ref.
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