input word = C00041827

Metabolite InformationStructural formula
Name Salvinorin I
(-)-Salvinorin I
Formula C21H28O7
Mw 392.18350325
CAS RN 917951-71-4
C_ID C00041827 ,
InChIKey YPCKIDCZBFZYON-VFVWEGRINA-N
InChICode InChI=1S/C21H28O7/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7-8,10,12,14-17,19,22-23,25H,4,6,9H2,1-3H3/t12-,14-,15-,16-,17-,19+,20-,21-/m0/s1
SMILES COC(=O)C1=C[C@H](O)[C@H](O)[C@@H]2[C@@]3(C)C[C@@H](c4ccoc4)O[C@@H](O)[C@@H]3CC[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia divinorum Ref.
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