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=C1CC23C[C@H]4[C@@H]5[C@@]6(C)CN4C4[C@@]2(O)C(OC(C)=O)[C@H]1[C@@H](O)[C@@]3(O)[C@@]45C[C@@H](OC(=O)C(C)CC)[C@H]6OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeConsolida glandulosa Ref.
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OrganismConsolida glandulosa
ReferenceAlmanza,Phytochem.,44,(1997),739