input word = C00050898

Metabolite InformationStructural formula
Name Isodaucenal
Formula C15H22O
Mw 218.16706532
CAS RN 138867-38-6
C_ID C00050898
InChIKey FJLQWQUZCQLZHA-CKNGHHRPNA-N
InChICode InChI=1S/C15H22O/c1-11(2)13-7-9-15(3)8-6-12(10-16)4-5-14(13)15/h6,10,13-14H,1,4-5,7-9H2,2-3H3/t13-,14+,15+/m1/s1
SMILES C=C(C)[C@H]1CC[C@]2(C)CC=C(C=O)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeRosa rugosa Ref.
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OrganismRosa rugosa
ReferenceChinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999)