input word = C00056955

Metabolite InformationStructural formula
Name Purunuside C
Formula C35H36O15
Mw 696.20542048
CAS RN 1221446-46-3
C_ID C00056955
InChIKey HNGPJRDLFSANPY-QONBHERNSA-N
InChICode InChI=1S/C35H36O15/c1-16-21(11-17-12-24(44-2)34(25(13-17)45-3)50-35-32(43)31(42)30(41)26(15-36)49-35)29(40)28-23(47-16)14-22(38)20(33(28)46-4)9-10-27(39)48-19-7-5-18(37)6-8-19/h5-10,12-14,26,30-32,35-38,41-43H,11,15H2,1-4H3/b10-9+/t26-,30-,31+,32-,35+/m1/s1
SMILES O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)OC2=C(C=C(C=C2OC)CC3=C(OC4=C(C3=O)C(OC)=C(/C=C/C(OC5=CC=C(O)C=C5)=O)C(O)=C4)C)OC)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaePrunus domestica Ref.
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OrganismPrunus domestica
ReferenceKosar, S. et al., Arch. Pharmacal Res., 2009, 32, 1705-1710 (Purunusides A,B,C)