input word = C00022051

Metabolite InformationStructural formula
Name 1,15-Dihydroxy-12-oxo-2,6,13-phytatrien-19-al
Formula C20H32O4
Mw 336.23005951
CAS RN 110601-43-9
C_ID C00022051 ,
InChIKey IJNXCNLFOIXWSL-NIXLIHAXNA-N
InChICode InChI=1S/C20H32O4/c1-16(12-14-21)7-5-9-18(15-22)10-6-8-17(2)19(23)11-13-20(3,4)24/h9,11-13,15,17,21,24H,5-8,10,14H2,1-4H3/b13-11+,16-12-,18-9?/t17-/m0/s1
SMILES C(/C=C/C(=O)[C@H](CCC/C(=C/CC/C(=C\CO)/C)/C=O)C)(C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMilleria quinqueflora Ref.
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