input word = C00056951

Metabolite InformationStructural formula
Name Prunusin B
Formula C35H38O8
Mw 586.25666819
CAS RN 1215833-08-1
C_ID C00056951
InChIKey BPRPQGSVYLIZFM-UHFFFAOYSA-N
InChICode InChI=1S/C35H38O8/c1-6-8-9-23(7-2)18-31(37)41-21-24-12-16-25(17-13-24)28-19-27(36)32-29(39-4)20-30(33(40-5)34(32)42-28)43-35(38)26-14-10-22(3)11-15-26/h10-17,19-20,23H,6-9,18,21H2,1-5H3
SMILES CC1=CC=C(C(OC2=CC(OC)=C(C(C=C(C3=CC=C(COC(CC(CC)CCCC)=O)C=C3)O4)=O)C4=C2OC)=O)C=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaePrunus domestica Ref.
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OrganismPrunus domestica
ReferenceMahmood, A. et al., Magn. Reson. Chem., 2010, 48, 151-154 (Prunusin B)