input word = C00054208

Metabolite InformationStructural formula
Name 1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne
Formula C18H20O4
Mw 300.13615913
CAS RN 29576-66-7
C_ID C00054208
InChIKey PGHCYQUSYHWJAI-NOPLWHKLSA-N
InChICode InChI=1S/C18H20O4/c1-4-5-6-7-8-9-10-11-12-13-18(22-17(3)20)14-15-21-16(2)19/h4-5,10-13,18H,14-15H2,1-3H3/b5-4+,11-10+,13-12+
SMILES C/C=C/C#CC#C/C=C/C=C/C(CCOC(C)=O)OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCarthamus tinctorius Ref.
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OrganismCarthamus tinctorius
ReferenceBohlmann, F. et al., Chem. Ber., 1966, 99, 3433

3544 (isol, uv, ir, pmr)