input word = C00045200

Metabolite InformationStructural formula
Name 9-O-Acetylglanduline
Formula C29H39NO9
Mw 545.26248185
CAS RN 425382-35-0
C_ID C00045200 ,
InChIKey NGOALRAWGUHGGI-SOARHFNINA-N
InChICode InChI=1S/C29H39NO9/c1-7-12(2)23(35)38-17-10-27-19-16-9-26-8-13(3)18(21(34)29(26,27)39-15(5)32)20(33)28(26,36)24(27)30(16)11-25(19,6)22(17)37-14(4)31/h12,16-22,24,33-34,36H,3,7-11H2,1-2,4-6H3/t12-,16-,17+,18-,19+,20+,21+,22+,24-,25-,26-,27+,28-,29-/m0/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)O)O)C2)OC(=O)C)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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OrganismConsolida glandulosa
ReferenceRuiz-Mesia,J.Nat.Prod.,65,(2002),496