input word = C00022027

Metabolite InformationStructural formula
Name 3beta-Hydroxysolanascone beta-sophoroside
Formula C27H42O12
Mw 558.26762681
CAS RN 88848-60-6
C_ID C00022027 ,
InChIKey KZKUQDVDJRRNRJ-CUYUWNDGNA-N
InChICode InChI=1S/C27H42O12/c1-10-21(15(30)12-7-25(2)11-4-5-27(10,6-11)26(12,25)3)38-24-22(19(34)17(32)14(9-29)37-24)39-23-20(35)18(33)16(31)13(8-28)36-23/h10-14,16-24,28-29,31-35H,4-9H2,1-3H3/t10-,11-,12-,13-,14-,16-,17-,18+,19+,20-,21-,22-,23+,24+,25+,26+,27+/m1/s1
SMILES C1(=O)[C@@H]([C@H]([C@]23[C@]4([C@@H]1C[C@]4([C@H](CC2)C3)C)C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeNicotiana tabacum Ref.
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