input word = C00012446

Metabolite InformationStructural formula
Name Caucalol diacetate
Formula C19H30O5
Mw 338.20932407
CAS RN 5172-19-0
C_ID C00012446 ,
InChIKey LLDZPKVTWNOHBD-VAWYXSNFNA-N
InChICode InChI=1S/C19H30O5/c1-12-7-8-16-19(6,24-16)10-9-15(22-13(2)20)18(4,5)17(11-12)23-14(3)21/h11,15-17H,7-10H2,1-6H3/b12-11+/t15-,16+,17+,19-/m1/s1
SMILES [C@H]1(C([C@@H](CC[C@]2(O[C@H]2CC/C(=C/1)/C)C)OC(=O)C)(C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeCaucalis scabra Ref.
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