input word = C00010985

Metabolite InformationStructural formula
Name 1,1,5-Trimethyl-2-formyl-4-(E)-3-hydroxymethyl-2-butenoyloxy)-2,5-cyclohexadiene
Formula C15H20O4
Mw 264.13615913
CAS RN 33579-66-7
C_ID C00010985 ,
InChIKey OBDJOZFVZUOEQW-BJMVGYQFNA-N
InChICode InChI=1S/C15H20O4/c1-10(8-16)5-14(18)19-13-6-12(9-17)15(3,4)7-11(13)2/h5-7,9,13,16H,8H2,1-4H3/b10-5+/t13-/m0/s1
SMILES C1(C(=C[C@@H](C(=C1)C)OC(=O)/C=C(/CO)\C)C=O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeLigusticum seguieri Ref.
PlantaeApiaceaeSelinum carvifolium Ref.
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