input word = C00020337

Metabolite InformationStructural formula
Name Isoxanthanol
4-Acetylivalbin
Formula C17H24O5
Mw 308.16237388
CAS RN 28582-79-8
C_ID C00020337 ,
InChIKey IQAWVYINTAIBSH-NIASSQBENA-N
InChICode InChI=1S/C17H24O5/c1-9-7-16-14(11(3)17(20)22-16)6-5-13(9)15(19)8-10(2)21-12(4)18/h5,9-10,14-16,19H,3,6-8H2,1-2,4H3/t9-,10+,14+,15+,16-/m0/s1
SMILES C=C1C(=O)O[C@H]2C[C@H](C)C([C@H](O)C[C@@H](C)OC(C)=O)=CC[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeXanthium strumarium Ref.
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