input word = C00036133

Metabolite InformationStructural formula
Name Lucilianoside C
(-)-Lucilianoside C
Formula C48H76O23
Mw 1020.47773874
CAS RN 652153-72-5
C_ID C00036133 ,
InChIKey GMURDWKGFBCUGP-MOGVERRCNA-N
InChICode InChI=1S/C48H76O23/c1-21-13-29(54)71-48(21)12-11-44(3)23-5-6-27-43(2,22(23)7-10-45(44,48)4)9-8-28(46(27,17-50)18-51)68-39-35(60)33(58)32(57)26(67-39)16-64-40-36(30(55)24(53)15-63-40)69-41-37(34(59)31(56)25(14-49)66-41)70-42-38(61)47(62,19-52)20-65-42/h21,24-28,30-42,49-53,55-62H,5-20H2,1-4H3/t21-,24-,25-,26-,27-,28+,30+,31-,32-,33+,34+,35-,36-,37-,38+,39+,40+,41+,42+,43-,44+,45+,47-,48+/m1/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)(C1=C(CC2)[C@]2([C@](CC1)([C@@]1(CC2)OC(=O)C[C@H]1C)C)C)C)(CO)CO)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]1OC[C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1OC[C@]([C@H]1O)(O)CO)O)O)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHyacinthaceaeMuscari paradoxum Ref.
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OrganismMuscari paradoxum
ReferenceOri,Phytochem.,64,(2003),1351