input word = C00053414

Metabolite InformationStructural formula
Name Lagerstannin A
Formula C34H24O23
Mw 800.07083708
CAS RN 147666-65-7
C_ID C00053414
InChIKey LDGMYQWQIFFFDO-UHFFFAOYSA-N
InChICode InChI=1S/C34H24O23/c35-10-1-6-15(23(44)19(10)40)16-7(2-11(36)20(41)24(16)45)32(51)55-27(14(39)5-54-31(6)50)28-29(30(48)49)57-34(53)9-4-13(38)22(43)26(47)18(9)17-8(33(52)56-28)3-12(37)21(42)25(17)46/h1-4,14,27-29,35-47H,5H2,(H,48,49)
SMILES O=C1OCC(O)C(C2OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC2C(=O)O)OC(=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.
PlantaeNymphaeaceaeNymphaea alba Ref.
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OrganismNymphaea alba
ReferenceBakr, R. O. et al., BMC Comp. Alt. Med., 17, (2017), 52.