input word = C00055252

Metabolite InformationStructural formula
Name 1,6-Di-O-galloyl-2,3-(S)-hexahydroxydiphenoyl-alpha-D-glucopyranose
Formula C34H26O22
Mw 786.09157252
CAS RN 82202-99-1
C_ID C00055252
InChIKey WKPZPHSGAOCQCK-UHFFFAOYSA-N
InChICode InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(48)52-7-18-25(45)28-29(34(53-18)56-31(49)9-3-14(37)22(42)15(38)4-9)55-33(51)11-6-17(40)24(44)27(47)20(11)19-10(32(50)54-28)5-16(39)23(43)26(19)46/h1-6,18,25,28-29,34-47H,7H2
SMILES O=C(OCC1OC(OC(=O)c2cc(O)c(O)c(O)c2)C2OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC2C1O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeSanguisorba officinalis Ref.
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