input word = C00032610

Metabolite InformationStructural formula
Name 1-O-(E)-Caffeoyl-3-O-galloyl-beta-D-glucopyranose
Formula C22H22O13
Mw 494.10604079
CAS RN 359819-42-4
C_ID C00032610 ,
InChIKey HLZYMQVTDCUYPD-KFLWXDISNA-N
InChICode InChI=1S/C29H24O17/c30-12-3-1-9(5-13(12)31)2-4-17(34)45-29-25(40)24(39)26-16(44-29)8-43-27(41)10-6-14(32)20(35)22(37)18(10)19-11(28(42)46-26)7-15(33)21(36)23(19)38/h1-7,16,24-26,29-33,35-40H,8H2/b4-2+/t16-,24+,25+,26+,29-/m0/s1
SMILES O=C(/C=C/c1cc(c(cc1)O)O)O[C@@H]1O[C@@H]2[C@H]([C@@H]([C@H]1O)O)OC(=O)c1c(c(c(c(c1)O)O)O)c1c(cc(c(c1O)O)O)C(=O)OC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBalanophoraceaeBalanophora japonica Ref.
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