input word = C00045632

Metabolite InformationStructural formula
Name Alternoside II
(+)-Alternoside II
Formula C50H82O20
Mw 1002.53994506
CAS RN 212775-23-0
C_ID C00045632 ,
InChIKey YLNAEGVSWMIJOI-UINCHITONA-N
InChICode InChI=1S/C50H80O20/c1-21-31(54)33(56)35(58)42(65-21)64-20-50-24(16-45(3,4)17-28(50)53)23-10-11-27-47(7)14-13-29(46(5,6)26(47)12-15-48(27,8)49(23,9)18-30(50)66-22(2)52)68-44-38(61)39(37(60)40(70-44)41(62)63)69-43-36(59)34(57)32(55)25(19-51)67-43/h10,21,24-40,42-44,51,53-61H,11-20H2,1-9H3,(H,62,63)/t21-,24-,25+,26-,27+,28-,29-,30-,31-,32+,33+,34-,35+,36+,37-,38+,39-,40-,42+,43-,44+,47-,48+,49+,50+/m0/s1
SMILES CC(=O)O[C@H]1C[C@]2(C)C(=CC[C@@H]3[C@@]4(C)CCC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)C(C)(C)[C@@H]4CC[C@]32C)[C@@H]2CC(C)(C)C[C@H](O)[C@]12COC1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeGymnema sylvestre Ref.
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OrganismGymnema sylvestre
ReferenceYe,J.Nat.Prod.,64,(2001),232