input word = C00021743

Metabolite InformationStructural formula
Name Trixol
Formula C15H18O4
Mw 262.12050906
CAS RN 96853-71-3
C_ID C00021743 ,
InChIKey HMQFUZGTSBPYDP-YZNQWAJNNA-N
InChICode InChI=1S/C15H18O4/c1-14(13(17)18)8-2-3-9-7-19-12(16)10-4-5-11(14)15(9,10)6-8/h2-3,7-8,10-12,16H,4-6H2,1H3,(H,17,18)/t8-,10-,11+,12-,14-,15-/m1/s1
SMILES C1C[C@H]2[C@@]34[C@@H]1[C@]([C@@H](C3)C=CC4=CO[C@H]2O)(C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTrixis paradoxa Ref.
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