input word = C00001292

Metabolite InformationStructural formula
Name Safynol
Formula C13H12O2
Mw 200.08372963
CAS RN 27978-14-9
C_ID C00001292 ,
InChIKey GVCJUCQUVWZELI-XNBFGFCUNA-N
InChICode InChI=1S/C13H12O2/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h2-3,10-11,13-15H,12H2,1H3/b3-2+,11-10+/t13-/m0/s1
SMILES C/C=C/C#CC#CC#C/C=C/[C@H](O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBidens bipinnata Ref.
PlantaeAsteraceaeCarthamus tinctorius Ref.
PlantaeAsteraceaeCentaurea spp. Ref.
--Carthamnus tinctorius Ref.
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OrganismCarthamus tinctorius
ReferenceSun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998).

Wang, et al., CTHD, 36, (2005), 20

Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter8