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 CC(=O)O[C@@H]1CC[C@]2(C)[C@H]([C@H](O)C(=O)C(C)[C@@]2(O)CCc2ccoc2)C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLeonurus sibirica Ref.
PlantaeLabiataeLeonurus sibiricus Ref.
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