input word = C00012113

Metabolite InformationStructural formula
Name Zexbrevin
Formula C19H22O6
Mw 346.14163844
CAS RN 28644-86-2
C_ID C00012113 ,
InChIKey KYTKEOOPALLADL-KHKJXVBINA-N
InChICode InChI=1S/C19H22O6/c1-9(2)17(21)24-14-8-19(5)15(20)7-12(25-19)10(3)6-13-16(14)11(4)18(22)23-13/h7,10,13-14,16H,1,4,6,8H2,2-3,5H3/t10-,13-,14-,16-,19-/m1/s1
SMILES [C@]12(C[C@H]([C@H]3[C@@H](C[C@H](C(=CC1=O)O2)C)OC(=O)C3=C)OC(=O)C(=C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeViguiera greggii Ref.
PlantaeAsteraceaeZexmenia brevifolia Ref.
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