input word = C00053729

Metabolite InformationStructural formula
Name Punigluconin
Formula C34H26O23
Mw 802.08648714
CAS RN 103488-38-6
C_ID C00053729
InChIKey LXDFURPXDYWVDX-UHFFFAOYSA-N
InChICode InChI=1S/C34H26O23/c35-12-1-8(2-13(36)21(12)41)31(50)55-18-7-54-33(52)10-5-16(39)23(43)25(45)19(10)20-11(6-17(40)24(44)26(20)46)34(53)56-28(18)27(47)29(30(48)49)57-32(51)9-3-14(37)22(42)15(38)4-9/h1-6,18,27-29,35-47H,7H2,(H,48,49)
SMILES O=C(OC1COC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OC1C(O)C(OC(=O)c1cc(O)c(O)c(O)c1)C(=O)O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
PlantaeLythraceaePunica granatum L. Ref.
PlantaePhyllanthaceaePhyllanthus niruri Ref.
zoom in



OrganismPunica granatum
ReferenceWu, S. et al., Molecules 22, (2017), 1606.