input word = C00046980

Metabolite InformationStructural formula
Name Zerumin A
(+)-Zerumin A
Formula C20H30O3
Mw 318.21949482
CAS RN 176050-48-9
C_ID C00046980 ,
InChIKey ZAWWSYIDZKWRAI-CGDKBICCNA-N
InChICode InChI=1S/C20H30O3/c1-14-6-9-17-19(2,3)10-5-11-20(17,4)16(14)8-7-15(13-21)12-18(22)23/h7,13,16-17H,1,5-6,8-12H2,2-4H3,(H,22,23)/b15-7+/t16-,17-,20-/m0/s1
SMILES C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(/C=O)CC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZingiberaceaeAlpinia calcarata Ref.
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