input word = C00058310

Metabolite InformationStructural formula
Name 1,2,4-tri-O-galloyl-beta-glucopyranose
Formula C27H24O18
Mw 636.09626397
CAS RN 131580-23-9
C_ID C00058310
InChIKey QIMAAFXJNKMZMG-PGIFLFFBSA-N
InChICode InChI=1S/C27H24O18/c28-7-17-22(43-24(39)8-1-11(29)18(35)12(30)2-8)21(38)23(44-25(40)9-3-13(31)19(36)14(32)4-9)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21+,22-,23-,27+/m1/s1
SMILES O=C(O[C@@H]1O[C@H](CO)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
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OrganismPunica granatum
ReferenceT. Tanaka et al., Phytochemistry, 1985, 24, 2075

M. A. M. Nawwwar et al., Chem. Abs., (1994), 121, 78386

S. A. M. Hussein et al., Chem. Abs., (1997), 127, 158982.