input word = C00024810

Metabolite InformationStructural formula
Name 13-O-Acetyl-9-deoxyglanduline
9-Deoxyglanduline 13-acetate
Formula C29H39NO8
Mw 529.26756723
CAS RN 188560-03-4
C_ID C00024810 ,
InChIKey KMAQVOJDJROIFI-RCYSJFETNA-N
InChICode InChI=1S/C29H39NO8/c1-7-12(2)24(34)38-17-10-28-20-16-9-27-8-13(3)18(19(33)21(27)28)23(37-15(5)32)29(27,35)25(28)30(16)11-26(20,6)22(17)36-14(4)31/h12,16-23,25,33,35H,3,7-11H2,1-2,4-6H3/t12-,16-,17+,18+,19-,20+,21+,22+,23-,25-,26+,27+,28-,29-/m0/s1
SMILES [C@@H]1([C@H]([C@]2([C@@H]3[C@@]4(C1)[C@H]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)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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