input word = C00031261

Metabolite InformationStructural formula
Name Sachaloside II
(-)-Sachaloside II
Formula C21H34O10
Mw 446.21519731
CAS RN 1001645-53-9
C_ID C00031261 ,
InChIKey BAWFMLVRUDRUAA-GMYGYAFGNA-N
InChICode InChI=1S/C21H34O10/c1-8-10-4-9(21(10,2)3)5-12(8)30-20-18(27)16(25)15(24)13(31-20)7-29-19-17(26)14(23)11(22)6-28-19/h9-20,22-27H,1,4-7H2,2-3H3/t9-,10+,11+,12+,13-,14-,15-,16+,17-,18-,19-,20-/m1/s1
SMILES O([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]1[C@@H]([C@@H]([C@H](CO1)O)O)O)O)O)O)[C@@H]1C(=C)[C@H]2C([C@@H](C1)C2)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeRhodiola crenulata Ref.
PlantaeCrassulaceaeRhodiola sachalinensis Ref.
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OrganismRhodiola crenulata
ReferenceLi, Y. et al., J. Pharm Biomed. Anal., 149, (2018), 318-328.