input word = C00020557

Metabolite InformationStructural formula
Name 4-Acetoxypruteninone
Formula C22H26O7
Mw 402.16785319
CAS RN 33589-19-4
C_ID C00020557 ,
InChIKey ZJBCJOJQKOHXKC-YFHOEESVNA-N
InChICode InChI=1S/C22H26O7/c1-7-10(2)20(25)29-22(6)18-15(27-13(5)23)9-12(4)16-14(24)8-11(3)17(16)19(18)28-21(22)26/h7-8,15,17-19H,9H2,1-6H3/b10-7-/t15-,17+,18-,19+,22+/m1/s1
SMILES C1=C([C@H]2C(=C(C[C@H]([C@@H]3[C@H]2OC(=O)[C@]3(OC(=O)/C(=C\C)/C)C)OC(=O)C)C)C1=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeLaserpitium prutenicum Ref.
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OrganismLaserpitium prutenicum
ReferenceBohlmann,Chem. Ber.,104,(1971),1611