input word = C00039863

Metabolite InformationStructural formula
Name Nobiloside
(-)-Nobiloside
Formula C47H72O19
Mw 940.46678012
CAS RN 415707-49-2
C_ID C00039863 ,
InChIKey YPXXUUWXJGOZRF-MYJDEELQNA-N
InChICode InChI=1S/C47H72O19/c1-20(2)9-8-10-21(3)22-14-18-47(43(59)60)24-11-12-26-44(4,5)27(15-16-45(26,6)23(24)13-17-46(22,47)7)62-41-31(52)29(50)35(37(66-41)39(57)58)64-42-33(54)34(32(53)36(65-42)38(55)56)63-40-30(51)28(49)25(48)19-61-40/h9,21-22,25-37,40-42,48-54H,8,10-19H2,1-7H3,(H,55,56)(H,57,58)(H,59,60)/t21-,22-,25+,26-,27+,28+,29-,30-,31-,32-,33-,34+,35+,36+,37+,40+,41-,42-,45-,46-,47+/m1/s1
SMILES C1[C@@H](C([C@@H]2[C@](C1)(C1=C(CC2)[C@]2([C@](CC1)([C@H](CC2)[C@H](C)CCC=C(C)C)C)C(=O)O)C)(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)O)O)O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Erylus nobilis Ref.
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