input word = C00045028

Metabolite InformationStructural formula
Name Prunasin 2',3',6'-tri-O-gallate
(+)-Prunasin 2',3',6'-tri-O-gallate
Formula C35H29NO18
Mw 751.13846313
CAS RN 404835-31-0
C_ID C00045028 ,
InChIKey NHZNFYPYZDKAIP-CNPJKDEPNA-N
InChICode InChI=1S/C35H29NO18/c1-36-31(14-5-3-2-4-6-14)54-35-30(53-34(49)17-11-22(41)27(45)23(42)12-17)29(52-33(48)16-9-20(39)26(44)21(40)10-16)28(46)24(51-35)13-50-32(47)15-7-18(37)25(43)19(38)8-15/h2-12,24,28-31,35,37-46H,13H2/t24-,28-,29+,30-,31-,35+/m1/s1
SMILES c1(c(c(cc(c1)C(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)c1cc(c(c(c1)O)O)O)O[C@H](c1ccccc1)[N+]
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp L-Phe
Organism
Kingdom Family Species Reference
PlantaeMelastomataceaePhyllagathis rotundifolia Ref.
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