input word = C00032612

Metabolite InformationStructural formula
Name 1-O-(E)-Caffeoyl-4,6-di-O-galloyl-beta-D-glucopyranose
(-)-1-O-(E)-Caffeoyl-4,6-di-O-galloyl-beta-D-glucopyranose
Formula C29H26O17
Mw 646.11699941
CAS RN 359819-47-9
C_ID C00032612 ,
InChIKey QJGHVFYJIDLXEM-BYSXAFCBNA-N
InChICode InChI=1S/C21H28O14/c22-6-11-14(26)16(28)18(30)20(33-11)32-7-12-15(27)17(29)19(31)21(34-12)35-13(25)4-2-8-1-3-9(23)10(24)5-8/h1-5,11-12,14-24,26-31H,6-7H2/b4-2+/t11-,12-,14-,15-,16+,17+,18-,19-,20-,21+/m1/s1
SMILES O=C(/C=C/c1cc(c(cc1)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBalanophoraceaeBalanophora japonica Ref.
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