input word = C00063881

Metabolite InformationStructural formula
Name Hyoscyamoside F1
Formula C45H76O19
Mw 920.49808025
CAS RN 1439937-04-8
C_ID C00063881
InChIKey YZYSYMQQIXAUPQ-INLXMRTJSA-N
InChICode InChI=1S/C45H76O19/c1-19(15-46)7-12-45(57)20(2)30-26(64-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)58-42-39(63-41-36(55)34(53)32(51)28(17-48)60-41)37(56)38(29(18-49)61-42)62-40-35(54)33(52)31(50)27(16-47)59-40/h19-42,46-57H,5-18H2,1-4H3/t19-,20+,21+,22+,23-,24+,25+,26+,27-,28-,29-,30+,31-,32-,33+,34+,35-,36-,37+,38+,39-,40+,41+,42-,43+,44+,45-/m1/s1
SMILES CC(CO)CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeHyoscyamus niger Ref.
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