input word = C00021145

Metabolite InformationStructural formula
Name Parthoxetin
Formula C19H24O8
Mw 380.14711774
CAS RN 102607-35-2
C_ID C00021145 ,
InChIKey YLKYUBJJIHQPSF-HUYBCIQXNA-N
InChICode InChI=1S/C19H24O8/c1-10-4-5-14-13(8-20)16(23)26-19(14)17(9-24-11(2)21)15(25-12(3)22)6-7-18(10,17)27-19/h10,15,20H,4-9H2,1-3H3/t10-,15-,17+,18+,19-/m0/s1
SMILES [C@@]123[C@]([C@]4(C(=C(C(=O)O4)CO)CC[C@@H]1C)O3)([C@H](CC2)OC(=O)C)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeParthenium fruticosum Ref.
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