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.
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