input word = C00043730

Metabolite InformationStructural formula
Name Mimengoside G
(-)-Mimengoside G
Formula C54H88O21
Mw 1072.58180988
CAS RN 664345-06-6
C_ID C00043730 ,
InChIKey GVNIXXJEIDYJMB-SXTOLHSJNA-N
InChICode InChI=1S/C54H88O21/c1-24-33(59)35(61)38(64)45(68-24)74-43-29(21-56)71-47(40(66)37(43)63)73-42-25(2)69-48(44(41(42)67)75-46-39(65)36(62)34(60)28(20-55)70-46)72-32-12-13-50(5)30(51(32,6)22-57)11-14-53(8)31(50)10-9-26-27-19-49(3,4)15-17-54(27,23-58)18-16-52(26,53)7/h9-10,24-25,27-30,32-48,55-67H,11-23H2,1-8H3/t24-,25+,27-,28+,29+,30+,32-,33+,34+,35-,36-,37-,38+,39+,40+,41-,42-,43+,44+,45-,46-,47-,48-,50-,51-,52?,53+,54+/m0/s1
SMILES C1[C@]2([C@H]([C@]([C@H](C1)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)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)C)O)O)C)(C)CO)CC[C@@]1(C2=CC=C2[C@]1(CC[C@@]1([C@H]2CC(CC1)(C)C)CO)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBuddlejaceaeBuddleja officinalis Ref.
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