input word = C00032609

Metabolite InformationStructural formula
Name 1-O-(E)-Caffeoyl-3,4-di-O-galloyl-beta-D-glucopyranose
Formula C29H26O17
Mw 646.11699941
CAS RN 359819-46-8
C_ID C00032609 ,
InChIKey RMWLMWGSYVZUQG-IGLHONHCNA-N
InChICode InChI=1S/C29H26O17/c30-10-20-25(45-27(41)12-6-16(33)22(38)17(34)7-12)26(46-28(42)13-8-18(35)23(39)19(36)9-13)24(40)29(43-20)44-21(37)4-2-11-1-3-14(31)15(32)5-11/h1-9,20,24-26,29-36,38-40H,10H2/b4-2+/t20-,24-,25-,26-,29+/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)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBalanophoraceaeBalanophora japonica Ref.
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