input word = C00032268

Metabolite InformationStructural formula
Name Swertiapunimarin
(-)-Swertiapunimarin
Formula C22H32O14
Mw 520.17920573
CAS RN 151140-40-8
C_ID C00032268 ,
InChIKey LILOLDYAQAFVGN-IQSXBXOUNA-N
InChICode InChI=1S/C22H32O14/c1-2-8-9-3-4-31-19(30)10(9)6-32-20(8)36-22-18(29)16(27)14(25)12(35-22)7-33-21-17(28)15(26)13(24)11(5-23)34-21/h2,6,8-9,11-18,20-29H,1,3-5,7H2/t8-,9-,11+,12+,13+,14+,15-,16-,17+,18+,20-,21?,22-/m0/s1
SMILES C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeSwertia japonica MAKINO Ref.
PlantaeGentianaceaeSwertia punicea Ref.
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