input word = C00002940

Metabolite InformationStructural formula
Name 1,2,3,4-Tetragalloyl-alpha-D-glucose
Formula C34H28O22
Mw 788.10722258
CAS RN 132023-50-8
C_ID C00002940 ,
InChIKey XFLTYUCKJRFDOU-ZZBXZDCENA-N
InChICode InChI=1S/C34H28O22/c35-9-22-27(53-30(48)10-1-14(36)23(44)15(37)2-10)28(54-31(49)11-3-16(38)24(45)17(39)4-11)29(55-32(50)12-5-18(40)25(46)19(41)6-12)34(52-22)56-33(51)13-7-20(42)26(47)21(43)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27+,28-,29-,34+/m0/s1
SMILES O=C(OC1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)OC(CO)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[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
PlantaeNymphaeaceaeNuphar variegatum Ref.
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