input word = C00053416

Metabolite InformationStructural formula
Name Lagerstannin C
Formula C27H22O19
Mw 650.07552853
CAS RN 147666-66-8
C_ID C00053416
InChIKey HUVLESMCLUQMJM-UHFFFAOYSA-N
InChICode InChI=1S/C27H22O19/c28-9-1-6(2-10(29)16(9)32)25(41)45-13-5-44-26(42)7-3-11(30)17(33)19(35)14(7)15-8(4-12(31)18(34)20(15)36)27(43)46-23(13)21(37)22(38)24(39)40/h1-4,13,21-23,28-38H,5H2,(H,39,40)
SMILES O=C(OC1COC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OC1C(O)C(O)C(=O)O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaeLagerstroemia indica Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeLythraceaePunica granatum L. Ref.
PlantaeNymphaeaceaeNymphaea alba Ref.
zoom in



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