input word = C00043728

Metabolite InformationStructural formula
Name Mimengoside D
(+)-Mimengoside D
Formula C47H76O17
Mw 912.508251
CAS RN 664345-04-4
C_ID C00043728 ,
InChIKey LOQZLLYPHUJKOP-VYMDEWSANA-N
InChICode InChI=1S/C47H76O17/c1-22-37(63-41-36(58)33(55)38(26(18-48)61-41)64-39-34(56)31(53)25(51)19-59-39)32(54)35(57)40(60-22)62-30-11-12-43(4)27(44(30,5)20-49)10-13-45(6)28(43)9-8-23-24-16-42(2,3)14-15-47(24,21-50)29(52)17-46(23,45)7/h8-9,22,25-41,48-58H,10-21H2,1-7H3/t22-,25-,26-,27-,28-,29+,30+,31+,32+,33+,34-,35-,36-,37+,38-,39+,40+,41+,43+,44+,45-,46-,47-/m1/s1
SMILES C1[C@]2([C@H]([C@]([C@H](C1)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)CO)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)C)(C)CO)CC[C@@]1([C@@H]2C=CC2=C3[C@@]([C@H](C[C@@]12C)O)(CCC(C3)(C)C)CO)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBuddlejaceaeBuddleja officinalis Ref.
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