input word = C00045030

Metabolite InformationStructural formula
Name Prunasin 3',6'-di-O-gallate
(-)-Prunasin 3',6'-di-O-gallate
Formula C28H25NO14
Mw 599.12750452
CAS RN 404835-29-6
C_ID C00045030 ,
InChIKey YBXFOTINCCIAPR-POVNHRCZNA-N
InChICode InChI=1S/C28H25NO14/c29-10-19(12-4-2-1-3-5-12)41-28-24(37)25(43-27(39)14-8-17(32)22(35)18(33)9-14)23(36)20(42-28)11-40-26(38)13-6-15(30)21(34)16(31)7-13/h1-9,19-20,23-25,28,30-37H,11H2/t19-,20+,23+,24+,25-,28+/m0/s1
SMILES O=C(O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)COC(=O)c1cc(c(c(c1)O)O)O)O[C@@H](C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp L-Phe
Organism
Kingdom Family Species Reference
PlantaeMelastomataceaePhyllagathis rotundifolia Ref.
zoom in