input word = C00020586

Metabolite InformationStructural formula
Name Tanaparthin beta-peroxide
Formula C15H18O5
Mw 278.11542369
CAS RN 85799-10-6
C_ID C00020586 ,
InChIKey ZTOKBJPHHAIUKE-QHAJALSXNA-N
InChICode InChI=1S/C15H18O5/c1-8-9-4-5-14(3,17)15-7-6-13(2,19-20-15)11(15)10(9)18-12(8)16/h6-7,9-11,17H,1,4-5H2,2-3H3/t9-,10-,11-,13?,14+,15-/m0/s1
SMILES O1[C@]2([C@H]3[C@](O1)([C@](CC[C@@H]1[C@@H]3OC(=O)C1=C)(C)O)C=C2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTanacetum parthenium Ref.
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