input word = C00036876

Metabolite InformationStructural formula
Name Canthoside B
(-)-Canthoside B
Formula C19H28O13
Mw 464.15299098
CAS RN 491613-78-6
C_ID C00036876 ,
InChIKey BPSJMBKZSUTYNF-UXKREQLNNA-N
InChICode InChI=1S/C19H28O13/c1-27-9-3-8(4-10(28-2)12(9)21)31-17-15(24)14(23)13(22)11(32-17)5-29-18-16(25)19(26,6-20)7-30-18/h3-4,11,13-18,20-26H,5-7H2,1-2H3/t11-,13-,14+,15-,16+,17-,18-,19-/m1/s1
SMILES COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeCanthium berberidifolium Ref.
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OrganismCanthium berberidifolium
ReferenceKanchanapoom,Phytochem.,61,(2002),461