input word = C00010983

Metabolite InformationStructural formula
Name 3-Hydroxy-4,6,6-trimethyl-1,4-Cyclohexadiene-1-carboxaldehyde 2-(hydroxymethyl)crotonate acetate
Formula C17H22O5
Mw 306.14672381
CAS RN 28333-44-0
C_ID C00010983 ,
InChIKey RIYSKDBFFCNNSW-UHFFFAOYNA-N
InChICode InChI=1S/C17H22O5/c1-6-13(10-21-12(3)19)16(20)22-15-7-14(9-18)17(4,5)8-11(15)2/h6-9,15H,10H2,1-5H3/b13-6+/t15-/m1/s1
SMILES C1=C([C@@H](C=C(C1(C)C)C=O)OC(=O)/C(=C/C)/COC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFerula hispanica Ref.
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OrganismFerula hispanica
ReferenceBohlmann,Chem.Ber.,102,(1969),2211

Bohlmann,104,(1971),1957

Bohlmann,107,(1974),1769