input word = C00031330

Metabolite InformationStructural formula
Name Scutebarbatine G
(-)-Scutebarbatine G
Formula C26H33NO7
Mw 471.22570242
CAS RN 960302-86-7
C_ID C00031330 ,
InChIKey DKZZSXIGMYMOLZ-ACAPWHRXNA-N
InChICode InChI=1S/C26H33NO7/c1-15-7-5-9-17-23(15,2)20(29)21(30)25(4)24(17,3)18(11-26(34-25)12-19(28)32-14-26)33-22(31)16-8-6-10-27-13-16/h6-8,10,13,17-18,20-21,29-30H,5,9,11-12,14H2,1-4H3/t17-,18-,20-,21-,23-,24-,25-,26-/m0/s1
SMILES CC1=CCC[C@H]2[C@@]1(C)[C@@H](O)[C@H](O)[C@]1(C)O[C@@]3(COC(=O)C3)C[C@H](OC(=O)c3cccnc3)[C@]21C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria barbata D.DON Ref.
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OrganismScutellaria barbata D.DON
ReferenceDai,Chem.Pharm.Bull.,55,(2007),1218