input word = C00024811

Metabolite InformationStructural formula
Name 13-O-Acetylglanduline
Glanduline 13-acetate
Formula C29H39NO9
Mw 545.26248185
CAS RN 188560-00-1
C_ID C00024811 ,
InChIKey FMHMIHWYLHPMBU-OUCDJIMFNA-N
InChICode InChI=1S/C29H39NO9/c1-7-12(2)23(34)39-17-10-27-19-16-9-26-8-13(3)18(20(33)29(26,27)36)22(38-15(5)32)28(26,35)24(27)30(16)11-25(19,6)21(17)37-14(4)31/h12,16-22,24,33,35-36H,3,7-11H2,1-2,4-6H3/t12-,16+,17-,18-,19-,20-,21-,22+,24+,25-,26+,27-,28+,29+/m1/s1
SMILES [C@@H]1([C@H]([C@]2([C@@H]3[C@@]4(C1)[C@]1([C@]56C[C@@H]3N([C@@H]4[C@]6([C@H]([C@H](C(=C)C5)[C@H]1O)OC(=O)C)O)C2)O)C)OC(=O)C)OC(=O)[C@H](C)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeConsolida glandulosa Ref.
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