input word = C00022393

Metabolite InformationStructural formula
Name Dubiin
Formula C22H30O6
Mw 390.20423869
CAS RN 51419-49-9
C_ID C00022393 ,
InChIKey NRXALCWIVBLUAS-MXOTYBDCNA-N
InChICode InChI=1S/C22H30O6/c1-14-11-17(28-15(2)23)18-20(3)7-4-8-21(18,13-27-19(20)24)22(14,25)9-5-16-6-10-26-12-16/h6,10,12,14,17-18,25H,4-5,7-9,11,13H2,1-3H3/t14-,17-,18-,20+,21-,22-/m1/s1
SMILES C1[C@H]([C@]([C@@]23[C@H]([C@@H]1OC(=O)C)[C@](C(=O)OC2)(C)CCC3)(O)CCc1ccoc1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLeonotis dubia Ref.
PlantaeLabiataeLeonurus sibiricus L. Ref.
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