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.
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