input word = C00021142

Metabolite InformationStructural formula
Name Neoambrosin
Formula C15H18O3
Mw 246.12559444
CAS RN 18446-70-3
C_ID C00021142 ,
InChIKey ALDYHLYMNPPSIB-GNSMCRNGNA-N
InChICode InChI=1S/C15H18O3/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(15)16/h6,8,10,13H,2,4-5,7H2,1,3H3/t8-,10-,13+,15-/m0/s1
SMILES C12=CCC(=O)[C@]1([C@H]1[C@@H](CC[C@@H]2C)C(=C)C(=O)O1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHymenoclea monogyra Ref.
PlantaeAsteraceaeHymenoclea salsola Ref.
PlantaeAsteraceaeParthenium bipinnatifidum Ref.
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