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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OrganismZanthium chasei
ReferenceEdited by Jiangsu New Medicinal College, Chinese Medicine Dictionary, Shanghai Science and technology Press, Shanghai, (1979).

Sun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998)