input word = C00039802

Metabolite InformationStructural formula
Name Murucoidin I
(-)-Murucoidin I
Formula C51H88O23
Mw 1068.57163912
CAS RN 882691-08-9
C_ID C00039802 ,
InChIKey GDILDCCQQOMDCW-ADLDHGTKNA-N
InChICode InChI=1S/C51H88O22/c1-9-11-17-20-30-21-18-15-13-12-14-16-19-22-33(52)68-32-23-31(25(4)62-47(32)72-43-39(58)36(55)28(7)65-50(43)67-30)69-51-45(70-46(61)24(3)10-2)44(73-49-41(60)38(57)35(54)27(6)64-49)42(29(8)66-51)71-48-40(59)37(56)34(53)26(5)63-48/h24-32,34-45,47-51,53-60H,9-23H2,1-8H3/t24-,25-,26-,27-,28+,29-,30-,31+,32+,34-,35-,36-,37+,38+,39-,40+,41+,42-,43+,44+,45+,47-,48-,49-,50-,51-/m0/s1
SMILES CCCCC[C@H]1CCCCCCCCCC(=O)O[C@@H]2C[C@@H](O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H]3OC(=O)[C@@H](C)CC)[C@H](C)O[C@H]2O[C@H]2[C@H](O1)O[C@H](C)[C@H](O)[C@@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea batatas Ref.
PlantaeConvolvulaceaeIpomoea murucoides Ref.
zoom in



OrganismIpomoea batatas
ReferenceNoda,N.et al.,Chem.Pharm.Bull.,40,(1992),3163-3168