input word = C00053836

Metabolite InformationStructural formula
Name Tonghaosu
Formula C13H12O2
Mw 200.08372963
CAS RN 16863-61-9
C_ID C00053836
InChIKey WTRXKCNFPMTAJV-KPKJPENVSA-N
InChICode InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7+
SMILES CC#CC#C/C=C(C=C1)/OC21CCCO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMatricaria chamomilla Ref.
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