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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