input word = C00030777

Metabolite InformationStructural formula
Name Mogroside IIE
Formula C60H90O23
Mw 1178.58728918
CAS RN 88907-63-5
C_ID C00030777 ,
InChIKey YRDBSDPBGQTQNX-UHFFFAOYNA-N
InChICode InChI=1S/C60H90O23/c1-29(18-22-46(57(13,14)70)83-55-53(79-38(10)69)51(77-36(8)67)49(75-34(6)65)43(81-55)28-72-31(3)62)39-24-25-58(15)44-21-19-40-41(60(44,17)47(73-32(4)63)26-59(39,58)16)20-23-45(56(40,11)12)82-54-52(78-37(9)68)50(76-35(7)66)48(74-33(5)64)42(80-54)27-71-30(2)61/h19,29,39,41-55,70H,18,20-28H2,1-17H3/t29-,39+,41-,42-,43+,44+,45-,46+,47+,48-,49+,50+,51-,52+,53-,54+,55+,58+,59+,60+/m0/s1
SMILES CC(=O)OCC1OC(OC(CCC(C)C2CCC3(C)C4CC=C5C(CCC(OC6OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C6OC(C)=O)C5(C)C)C4(C)C(OC(C)=O)CC23C)C(C)(C)O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeSiraitia grosvenori Ref.
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OrganismSiraitia grosvenori
ReferenceLi,J.Nat.Med.,61,(2007),307