input word = C00002675

Metabolite InformationStructural formula
Name delta9-tetrahydrocannabinol
Dronabinol
Formula C21H30O2
Mw 314.2245802
CAS RN 1972-08-3
C_ID C00002675 ,
InChIKey CYQFCXCEBYINGO-RXQGYGPJNA-N
InChICode InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17+/m0/s1
SMILES CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeCannabis indica Ref.
PlantaeCannabaceaeCannabis sativa Ref.
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