input word = C00003417

Metabolite InformationStructural formula
Name Columbin
Formula C20H22O6
Mw 358.14163844
CAS RN 546-97-4
C_ID C00003417 ,
InChIKey AALLCALQGXXWNA-SQVOLJDCNA-N
InChICode InChI=1S/C20H22O6/c1-18-9-14(11-5-8-24-10-11)25-16(21)12(18)3-6-19(2)15(18)13-4-7-20(19,23)17(22)26-13/h4-5,7-8,10,12-15,23H,3,6,9H2,1-2H3/t12-,13?,14+,15-,18+,19+,20-/m0/s1
SMILES C1=C[C@]2([C@]3([C@@H]([C@H]1OC2=O)[C@]1([C@@H](CC3)C(=O)O[C@H](C1)c1cocc1)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeCalystegia hedracea Ref.
PlantaeEuphorbiaceaeCleidion spiciflorum (Burm. f.) Merr. Ref.
PlantaeMenispermaceaeDioscoreophyllum cummingsii Ref.
PlantaeMenispermaceaeDioscoreophyllum cumminsii Ref.
PlantaeMenispermaceaeJateorhiza palmata Ref.
PlantaeMenispermaceaeTinospora capillipes Ref.
PlantaeMenispermaceaeTinospora dentata Ref.
PlantaeMenispermaceaeTinospora sagittata Ref.
PlantaeSolanaceaeSolanum dulcamara Ref.
PlantaeSolanaceaeSolanum lyratum Ref.
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OrganismSolanum dulcamara
ReferenceWang, et al., Handbook of Effective Components in Vegetal Medicines, People Health Press, Beijing, (1986).

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