input word = C00045031

Metabolite InformationStructural formula
Name Prunasin 4',6'-di-O-gallate
(-)-Prunasin 4',6'-di-O-gallate
Formula C28H25NO14
Mw 599.12750452
CAS RN 404835-30-9
C_ID C00045031 ,
InChIKey HQGQLVSCWLLIQT-QMHUBEPCNA-N
InChICode InChI=1S/C28H25NO14/c29-10-19(12-4-2-1-3-5-12)41-28-24(37)23(36)25(43-27(39)14-8-17(32)22(35)18(33)9-14)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@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1OC(=O)c1cc(c(c(c1)O)O)O)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.
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OrganismPhyllagathis rotundifolia
ReferenceLing,J.Nat.Prod.,66,(2003),131