input word = C00053415

Metabolite InformationStructural formula
Name Lagerstannin B
Formula C41H26O27
Mw 950.06614563
CAS RN 147666-67-9
C_ID C00053415
InChIKey ICJUXTGGLYROIC-UHFFFAOYSA-N
InChICode InChI=1S/C41H26O27/c42-10-1-6-15(26(50)22(10)46)16-7(2-11(43)23(47)27(16)51)39(61)66-33-14(5-64-37(6)59)65-38(60)8-3-12(44)24(48)28(52)17(8)19-21-20(31(55)32(56)30(19)54)18-9(4-13(45)25(49)29(18)53)40(62)68-35(36(57)58)34(33)67-41(21)63/h1-4,14,33-35,42-56H,5H2,(H,57,58)
SMILES O=C1OCC2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)OC(C(C(=O)O)OC(=O)c3cc(O)c(O)c(O)c3-4)C2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaeLagerstroemia indica Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeNymphaeaceaeNymphaea alba Ref.
zoom in



OrganismLagerstroemia indica
ReferenceT. Tanaka et al., Chem. Abs., (1992), 118, 230159.