input word = C00000313

Metabolite InformationStructural formula
Name Xanthinin
Formula C17H22O5
Mw 306.14672381
CAS RN 580-49-4
C_ID C00000313 ,
InChIKey DPSCQKGSAHTWSP-UHFFFAOYNA-N
InChICode InChI=1S/C17H22O5/c1-9-7-15-14(11(3)17(20)22-15)6-5-13(9)16(8-10(2)18)21-12(4)19/h5,9,14-16H,3,6-8H2,1-2,4H3/t9-,14+,15-,16-/m1/s1
SMILES C1(=O)C(=C)[C@H]2[C@H](O1)C[C@H](C(=CC2)[C@@H](CC(=O)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeIva ambrosiifolia Ref.
PlantaeAsteraceaeXanthium commune Ref.
PlantaeAsteraceaeXanthium italicum Ref.
PlantaeAsteraceaeXanthium macrocarpum Ref.
PlantaeAsteraceaeXanthium orientale Ref.
PlantaeAsteraceaeXanthium pensylvanicum Ref.
PlantaeAsteraceaeXanthium sibiricum Ref.
PlantaeAsteraceaeXanthium strumarium Ref.
PlantaeBrassicaceaeAgianthus tomentosus Ref.
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OrganismXanthium strumarium
ReferenceWink, M., Mitt. Julius Kuehn-Inst., 421, (2009), 93-112.