input word = C00022385

Metabolite InformationStructural formula
Name Leosibirin
Formula C22H32O6
Mw 392.21988875
CAS RN 86575-87-3
C_ID C00022385 ,
InChIKey RWOAGXCXGZWXLF-JJTHUPHBNA-N
InChICode InChI=1S/C22H32O6/c1-13-17(24)18(25)19-20(3,4)16(28-14(2)23)7-9-21(19,5)22(13,26)10-6-15-8-11-27-12-15/h8,11-13,16,18-19,25-26H,6-7,9-10H2,1-5H3/t13-,16+,18+,19+,21+,22-/m0/s1
SMILES C1[C@H](C([C@@H]2[C@@](C1)([C@@]([C@H](C(=O)[C@H]2O)C)(CCc1ccoc1)O)C)(C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLeonurus sibirica Ref.
PlantaeLabiataeLeonurus sibiricus Ref.
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