input word = C00031676

Metabolite InformationStructural formula
Name Chironiside
(-)-Chironiside
Formula C21H30O14
Mw 506.16355567
CAS RN 149155-17-9
C_ID C00031676 ,
InChIKey AQIOUKAPNHMCRS-WRRZRSBWNA-N
InChICode InChI=1S/C21H30O14/c1-2-8-18(31-5-9-17(28)30-4-3-21(8,9)29)35-20-16(27)14(25)13(24)11(34-20)7-33-19-15(26)12(23)10(22)6-32-19/h2,5,8,10-16,18-20,22-27,29H,1,3-4,6-7H2/t8-,10+,11+,12+,13+,14-,15-,16+,18-,19+,20-,21+/m0/s1
SMILES C1OC(=O)C2=CO[C@H]([C@@H]([C@@]2(C1)O)C=C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]1[C@H]([C@@H]([C@@H](CO1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeSwertia japonica MAKINO Ref.
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OrganismSwertia japonica MAKINO
ReferenceKikuchi,Chem.Pharm.Bull.,52,(2004),1210