input word = C00040989

Metabolite InformationStructural formula
Name Glinuside E
(+)-Glinuside E
Formula C47H80O17
Mw 916.53955113
CAS RN 221468-25-3
C_ID C00040989 ,
InChIKey DETMLMKPOGLPGK-DPNLHVRVNA-N
InChICode InChI=1S/C47H80O17/c1-42(2)26-12-16-46(7)27(44(26,5)15-13-29(42)62-39-35(56)31(52)23(51)20-59-39)9-10-28-45(6)14-11-21(30(45)22(50)17-47(28,46)8)43(3,4)64-41-37(58)34(55)38(25(19-49)61-41)63-40-36(57)33(54)32(53)24(18-48)60-40/h21-41,48-58H,9-20H2,1-8H3/t21-,22+,23+,24-,25-,26-,27-,28-,29+,30-,31+,32+,33+,34-,35-,36-,37-,38+,39+,40+,41+,44-,45-,46-,47-/m1/s1
SMILES C1[C@@]2([C@@H](C([C@H](C1)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)(C)C)CC[C@@]1([C@@H]2CC[C@H]2[C@]1(C[C@@H]([C@@H]1[C@@]2(CC[C@H]1C(O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)O)O)(C)C)C)O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Glimus lotoides var. dictamnoides Ref.
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