input word = C00039803

Metabolite InformationStructural formula
Name Murucoidin II
(-)-Murucoidin II
Formula C55H94O24
Mw 1138.61350393
CAS RN 882691-09-0
C_ID C00039803 ,
InChIKey IEFBWUNIFJHUDL-YDADKORNNA-N
InChICode InChI=1S/C55H94O24/c1-11-13-19-22-32-23-20-17-15-14-16-18-21-24-33(56)73-46-41(64)43(30(9)70-54(46)78-45-37(60)35(58)28(7)68-53(45)72-32)76-55-48(75-50(66)26(5)12-2)47(79-51-39(62)36(59)34(57)27(6)67-51)44(31(10)71-55)77-52-40(63)38(61)42(29(8)69-52)74-49(65)25(3)4/h25-32,34-48,51-55,57-64H,11-24H2,1-10H3/t26-,27-,28+,29-,30-,31-,32-,34-,35-,36+,37-,38-,39+,40+,41+,42-,43-,44-,45+,46+,47+,48+,51-,52-,53-,54-,55-/m0/s1
SMILES CCCCC[C@H]1CCCCCCCCCC(=O)O[C@H]2[C@H](O[C@H]3[C@H](O1)O[C@H](C)[C@H](O)[C@@H]3O)O[C@@H](C)[C@H](O[C@@H]1O[C@@H](C)[C@H](O[C@@H]3O[C@@H](C)[C@H](OC(=O)C(C)C)[C@@H](O)[C@H]3O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]1OC(=O)[C@@H](C)CC)[C@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea murucoides Ref.
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