input word = C00039615

Metabolite InformationStructural formula
Name Leonoside B
Formula C36H48O19
Mw 784.27897935
CAS RN 135010-56-9
C_ID C00039615 ,
InChIKey ZIPURHYPGUGDEP-RMKNXTFCNA-N
InChICode InChI=1S/C36H48O19/c1-16-26(42)28(44)33(55-34-29(45)27(43)21(40)15-50-34)36(51-16)54-32-30(46)35(49-11-10-18-5-8-22(47-2)20(39)12-18)52-24(14-37)31(32)53-25(41)9-6-17-4-7-19(38)23(13-17)48-3/h4-9,12-13,16,21,24,26-40,42-46H,10-11,14-15H2,1-3H3/b9-6+/t16-,21+,24-,26-,27+,28-,29-,30-,31-,32-,33-,34+,35+,36-/m1/s1
SMILES COc1ccc(CCOC2OC(CO)C(OC(=O)/C=C/c3ccc(O)c(OC)c3)C(OC3OC(C)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLeonurus glaucescens Ref.
PlantaeLabiataeStachys lanata Ref.
PlantaeLabiataeStachys sieboldii Ref.
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OrganismStachys sieboldii
ReferenceSasaki, H. et al., Chem. Pharm. Bull., 1978, 26, 2111-2121 (Martynoside)