input word = C00003394

Metabolite InformationStructural formula
Name Xanthatin
Formula C15H18O3
Mw 246.12559444
CAS RN 26791-73-1
C_ID C00003394 ,
InChIKey RBRPTFMVULVGIC-HWRQIWQWNA-N
InChICode InChI=1S/C15H18O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h4-6,9,13-14H,3,7-8H2,1-2H3/b5-4+/t9-,13+,14-/m0/s1
SMILES C1(=CC[C@H]2[C@H](C[C@@H]1C)OC(=O)C2=C)/C=C/C(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeXanthium pennsylvanicum Ref.
PlantaeAsteraceaeXanthium pensylvanicum Ref.
PlantaeAsteraceaeXanthium riparium Ref.
PlantaeAsteraceaeXanthium sibiricum Ref.
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OrganismXanthium pensylvanicum
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter51