input word = C00019794

Metabolite InformationStructural formula
Name Assafoetidin
Formula C24H30O4
Mw 382.21440945
CAS RN 115361-83-6
C_ID C00019794 ,
InChIKey FDKWXRYTMNZMOF-DTQAZKPQNA-N
InChICode InChI=1S/C24H30O4/c1-16(5-10-20-17(2)6-11-22(25)24(20,3)4)13-14-27-19-9-7-18-8-12-23(26)28-21(18)15-19/h7-9,12-13,15,22,25H,5-6,10-11,14H2,1-4H3/b16-13+/t22-/m0/s1
SMILES O(C/C=C(\C)/CCC1=C(CC[C@@H](C1(C)C)O)C)c1ccc2c(c1)oc(=O)cc2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFerula assa-foetida Ref.
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