input word = C00020336

Metabolite InformationStructural formula
Name Xanthanol
Xanthumanol
2-Acetylivalbin
Formula C17H24O5
Mw 308.16237388
CAS RN 28582-80-1
C_ID C00020336 ,
InChIKey JKIKMDJRHDXNEW-HSCWAIFXNA-N
InChICode InChI=1S/C17H24O5/c1-9-7-15-14(11(3)17(20)22-15)6-5-13(9)16(8-10(2)18)21-12(4)19/h5,9-10,14-16,18H,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](C[C@@H](C)O)OC(C)=O)=CC[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeXanthium orientale Ref.
PlantaeAsteraceaeXanthium spinosum Ref.
PlantaeAsteraceaeXanthium strumarium Ref.
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