input word = C00002410

Metabolite InformationStructural formula
Name Toxol
Formula C13H14O3
Mw 218.09429431
CAS RN 26296-56-0
C_ID C00002410 ,
InChIKey KWZYQHQNOWRQRG-QWAQRTLVNA-N
InChICode InChI=1S/C13H14O3/c1-7(2)13-12(15)10-6-9(8(3)14)4-5-11(10)16-13/h4-6,12-13,15H,1H2,2-3H3/t12-,13+/m1/s1
SMILES c12c(cc(cc1)C(=O)C)[C@H]([C@@H](O2)C(=C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHaplopappus heterophyllus Ref.
PlantaeAsteraceaeMorithamnus crassus Ref.
--Aplopappus heterophyllus Ref.
--family Asteraceae spp. Ref.
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