input word = C00020874

Metabolite InformationStructural formula
Name Montanolide
Formula C22H30O7
Mw 406.19915331
CAS RN 30557-67-6
C_ID C00020874 ,
InChIKey XXJSSOMQAJNWAL-VLZOICGCNA-N
InChICode InChI=1S/C22H30O7/c1-11(2)9-16(24)27-15-10-21(5,26)14-8-7-12(3)17(14)19-18(15)22(6,20(25)28-19)29-13(4)23/h7,9,14-15,17-19,26H,8,10H2,1-6H3/t14-,15-,17+,18+,19+,21-,22-/m0/s1
SMILES CC(=O)O[C@]1(C)C(=O)O[C@H]2[C@@H]3C(C)=CC[C@@H]3[C@@](C)(O)C[C@H](OC(=O)C=C(C)C)[C@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeLaserpitium siler Ref.
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