input word = C00029377

Metabolite InformationStructural formula
Name 11-Dehydroxymogroside III
11-Deoxymogroside
Formula C48H82O18
Mw 946.55011582
CAS RN 942612-68-2
C_ID C00029377 ,
InChIKey ACQZDPFYFKJNJQ-MOOLGVCJNA-N
InChICode InChI=1S/C48H82O18/c1-22(9-13-31(45(4,5)60)66-43-40(59)37(56)34(53)28(64-43)21-61-41-38(57)35(54)32(51)26(19-49)62-41)23-15-16-48(8)29-12-10-24-25(46(29,6)17-18-47(23,48)7)11-14-30(44(24,2)3)65-42-39(58)36(55)33(52)27(20-50)63-42/h10,22-23,25-43,49-60H,9,11-21H2,1-8H3/t22-,23-,25-,26-,27-,28-,29-,30+,31-,32-,33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,43+,46+,47-,48+/m1/s1
SMILES C1[C@@H](C(C2=CC[C@@H]3[C@]([C@@H]2C1)(CC[C@]1([C@]3(CC[C@@H]1[C@@H](CC[C@@H](O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)C(C)(O)C)C)C)C)C)(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeSiraitia grosvenori Ref.
PlantaeCucurbitaceaeSiraitia grosvenorii Ref.
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OrganismSiraitia grosvenorii
ReferenceAkihisa,J.Nat.Prod.,70,(2007),783