input word = C00003395

Metabolite InformationStructural formula
Name Xanthumin
Formula C17H22O5
Mw 306.14672381
CAS RN 26791-72-0
C_ID C00003395 ,
InChIKey DPSCQKGSAHTWSP-PCILPSHPNA-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+/m0/s1
SMILES C=C1C(=O)O[C@@H]2C[C@H](C)C([C@@H](CC(C)=O)OC(C)=O)=CC[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeXanthium chasei Ref.
PlantaeAsteraceaeXanthium chinense Ref.
PlantaeAsteraceaeXanthium indicum Ref.
PlantaeAsteraceaeXanthium occidentale Ref.
PlantaeAsteraceaeXanthium sibiricum Ref.
PlantaeAsteraceaeXanthium strumarium Ref.
--Zanthium chasei Ref.
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OrganismXanthium chinense
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter51