input word = C00010984

Metabolite InformationStructural formula
Name 3-Hydroxy-4,6,6-trimethyl-1,4-Cyclohexadiene-1-carboxaldehyde 4-hydroxy-3-methylcrotonate acetate
Formula C17H22O5
Mw 306.14672381
CAS RN 28333-41-7
C_ID C00010984 ,
InChIKey RYGKALGARMELFA-UHFFFAOYNA-N
InChICode InChI=1S/C17H22O5/c1-11(10-21-13(3)19)6-16(20)22-15-7-14(9-18)17(4,5)8-12(15)2/h6-9,15H,10H2,1-5H3/b11-6-/t15-/m0/s1
SMILES C1=C([C@H](C=C(C1(C)C)C=O)OC(=O)/C=C(\COC(=O)C)/C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeLigusticum seguieri Ref.
PlantaeApiaceaeSelinum carvifolium Ref.
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