input word = C00010994

Metabolite InformationStructural formula
Name 1,1,5-Trimethyl-2-formyl-6-((E)-3-hydroxymethyl-2-butenoyloxy)-2,4-cyclohexadiene
Formula C15H20O4
Mw 264.13615913
CAS RN 33530-22-2
C_ID C00010994 ,
InChIKey OITVWQNYQGPKEG-JXMROGBWNA-N
InChICode InChI=1S/C15H20O4/c1-10(8-16)7-13(18)19-14-11(2)5-6-12(9-17)15(14,3)4/h5-7,9,14,16H,8H2,1-4H3/b10-7+/t14-/m1/s1
SMILES C1=C(C([C@@H](C(=C1)C)OC(=O)/C=C(/CO)\C)(C)C)C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeLigusticum seguieri Ref.
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