input word = C00012018

Metabolite InformationStructural formula
Name (-)-beta-Elemenal
(-)-Elema-1,3,11(13)-trien-12-al
Formula C15H22O
Mw 218.16706532
CAS RN 4584-28-5
C_ID C00012018 ,
InChIKey DJZHNAGRSWMVPA-QRSVUVFUNA-N
InChICode InChI=1S/C15H22O/c1-6-15(5)8-7-13(12(4)10-16)9-14(15)11(2)3/h6,10,13-14H,1-2,4,7-9H2,3,5H3/t13-,14+,15-/m1/s1
SMILES C1[C@]([C@@H](C[C@@H](C1)C(=C)C=O)C(=C)C)(C=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCupressaceaeThujopsis dolabrata Ref.
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