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 C1[C@]2([C@H]([C@@H](O[C@@H]1c1cocc1)O)CC[C@@]1([C@@H]2[C@H]([C@H](C=C1C(=O)OC)O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia divinorum Ref.
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