input word = C00021115

Metabolite InformationStructural formula
Name 15-Acetoxybrasilic acid
Formula C17H24O4
Mw 292.16745925
CAS RN 88321-02-2
C_ID C00021115 ,
InChIKey CHHBOUOBKUQWFC-XPOADCMBNA-N
InChICode InChI=1S/C17H24O4/c1-12(5-4-6-13(2)17(19)20)16-9-7-15(8-10-16)11-21-14(3)18/h6-7,16H,1,4-5,8-11H2,2-3H3,(H,19,20)/b13-6+/t16-/m0/s1
SMILES C=C(CC/C=C(C)C(=O)O)[C@H]1CC=C(COC(C)=O)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBrasilia sickii Ref.
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