input word = C00022228

Metabolite InformationStructural formula
Name Methyl sciadopate
Formula C21H34O4
Mw 350.24570957
CAS RN 6813-12-3
C_ID C00022228 ,
InChIKey ZNVMCCVYWCQYIP-YWQDZWCENA-N
InChICode InChI=1S/C21H34O4/c1-15-6-9-18-20(2,11-5-12-21(18,3)19(24)25-4)17(15)8-7-16(14-23)10-13-22/h10,17-18,22-23H,1,5-9,11-14H2,2-4H3/b16-10+/t17-,18-,20+,21-/m0/s1
SMILES C=C1CCC2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CC/C(=CCO)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSciadopityaceaeSciadopitys verticillata Ref.
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