input word = C00058311

Metabolite InformationStructural formula
Name 1,3,4-tri-O-galloyl-beta-glucopyranose
Formula C27H24O18
Mw 636.09626397
CAS RN 193484-86-5
C_ID C00058311
InChIKey YYJNEVBVNQOVIM-BTPAJHBMSA-N
InChICode InChI=1S/C27H24O18/c28-7-17-22(43-24(39)8-1-11(29)18(35)12(30)2-8)23(44-25(40)9-3-13(31)19(36)14(32)4-9)21(38)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 OC1=CC(C(O[C@@H]2[C@@H](CO)O[C@@H](OC(C3=CC(O)=C(O)C(O)=C3)=O)[C@H](O)[C@H]2OC(C4=CC(O)=C(O)C(O)=C4)=O)=O)=CC(O)=C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
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