input word = C00032589

Metabolite InformationStructural formula
Name 1,3-Di-O-(E)-Caffeoyl-4-O-galloyl-beta-D-glucopyranose
Formula C31H28O16
Mw 656.13773485
CAS RN 359819-44-6
C_ID C00032589 ,
InChIKey DJEHBAATIXBFIY-MODDWCCPNA-N
InChICode InChI=1S/C31H28O16/c32-13-23-28(47-30(43)16-11-21(37)26(41)22(38)12-16)29(45-24(39)7-3-14-1-5-17(33)19(35)9-14)27(42)31(44-23)46-25(40)8-4-15-2-6-18(34)20(36)10-15/h1-12,23,27-29,31-38,41-42H,13H2/b7-3+,8-4+/t23-,27-,28-,29-,31+/m1/s1
SMILES O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBalanophoraceaeBalanophora japonica Ref.
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OrganismBalanophora japonica
ReferenceJiang,Chem.Pharm.Bull.,49,(2001),887