input word = C00012415

Metabolite InformationStructural formula
Name [2alpha(Z),3alpha(E)]- 3-Methyl-4-[tetrahydro-3-(3-methyl-1,3-butadienyl)-4-methylene-5-oxo-2-furanyl]-2-butenal
Formula C15H18O3
Mw 246.12559444
CAS RN 94663-00-0
C_ID C00012415 ,
InChIKey XLYBDSYQEKATOJ-YCQVPAGSNA-N
InChICode InChI=1S/C15H18O3/c1-10(2)5-6-13-12(4)15(17)18-14(13)9-11(3)7-8-16/h5-8,13-14H,1,4,9H2,2-3H3/b6-5+,11-7-/t13-,14-/m0/s1
SMILES C=C(C)/C=C/[C@H]1C(=C)C(=O)O[C@H]1C/C(C)=CC=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelianthus giganteus Ref.
PlantaeAsteraceaeHelianthus hirsutus Ref.
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OrganismHelianthus hirsutus
ReferenceMelek,Phytochem.,23,(1984),2573