input word = C00056950

Metabolite InformationStructural formula
Name Prunusin A
Formula C36H38O8
Mw 598.25666819
CAS RN 1215833-07-0
C_ID C00056950
InChIKey RJIPICQWXFDSRG-QGOAFFKASA-N
InChICode InChI=1S/C36H38O8/c1-5-7-8-24(6-2)19-35(39)42-23-26-9-14-27(15-10-26)31-22-30(37)36-32(41-4)20-29(21-33(36)44-31)43-34(38)18-13-25-11-16-28(40-3)17-12-25/h9-18,20-22,24H,5-8,19,23H2,1-4H3/b18-13+
SMILES CCCCC(CC)CC(=O)OCc1ccc(-c2cc(=O)c3c(OC)cc(OC(=O)/C=C/c4ccc(OC)cc4)cc3o2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaePrunus domestica Ref.
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