input word = C00022111

Metabolite InformationStructural formula
Name (E,E,E)-3-(Hydroxymethyl)-7,11,15-trimethyl-2,6,10-hexadecatriene-1,14,15-triol
Formula C20H36O4
Mw 340.26135964
CAS RN 119877-40-6
C_ID C00022111 ,
InChIKey OUNTWVOXOAIJPN-XZFKFLATNA-N
InChICode InChI=1S/C20H36O4/c1-16(9-6-10-18(15-22)13-14-21)7-5-8-17(2)11-12-19(23)20(3,4)24/h8-9,13,19,21-24H,5-7,10-12,14-15H2,1-4H3/b16-9+,17-8+,18-13+/t19-/m1/s1
SMILES [C@@H](CC/C(=C/CC/C(=C/CC/C(=C\CO)/CO)/C)/C)(C(C)(C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTithonia pedunculata Ref.
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