input word = C00021410

Metabolite InformationStructural formula
Name Vaginatin
Crispanone
Formula C20H30O4
Mw 334.21440945
CAS RN 11053-21-7
C_ID C00021410 ,
InChIKey IVSKJBHOJBAMEK-CYKKWLCONA-N
InChICode InChI=1S/C20H30O4/c1-7-14(5)18(22)24-17-10-13(4)8-9-20(23)15(12(2)3)11-16(21)19(17,20)6/h7,10,12,15,17,23H,8-9,11H2,1-6H3/b14-7-/t15-,17-,19-,20+/m1/s1
SMILES [C@@]12([C@](CCC(=C[C@H]1OC(=O)/C(=C\C)/C)C)([C@H](CC2=O)C(C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaePetroselinum crispum Ref.
PlantaeApiaceaeSelinum vaginatum Ref.
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