input word = C00030779

Metabolite InformationStructural formula
Name Mogroside IVA
Mogroside IV-A
Formula C54H92O24
Mw 1124.59785387
CAS RN 88901-41-1
C_ID C00030779 ,
InChIKey OKGRRPCHOJYNKX-PYCBBLRRNA-N
InChICode InChI=1S/C54H92O24/c1-22(9-13-33(51(4,5)70)78-49-45(69)41(65)37(61)29(76-49)21-72-47-43(67)39(63)35(59)27(19-56)74-47)23-15-16-52(6)30-12-10-24-25(54(30,8)31(57)17-53(23,52)7)11-14-32(50(24,2)3)77-48-44(68)40(64)36(60)28(75-48)20-71-46-42(66)38(62)34(58)26(18-55)73-46/h10,22-23,25-49,55-70H,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-,44-,45-,46-,47-,48+,49+,52+,53-,54+/m1/s1
SMILES C1[C@@H](C(C2=CC[C@@H]3[C@]([C@@H]2C1)([C@@H](C[C@]1([C@]3(CC[C@@H]1[C@@H](CC[C@H](C(C)(O)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C)O)C)(C)C)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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeSiraitia grosvenori Ref.
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OrganismSiraitia grosvenori
ReferenceLi,Chem.Pharm.Bull.,54,(2006),1425