input word = C00031334

Metabolite InformationStructural formula
Name Scutebarbatine K
(-)-Scutebarbatine K
Formula C28H33NO7
Mw 495.22570242
CAS RN 1039359-56-2
C_ID C00031334 ,
InChIKey ZAAJNCSDZGGPSE-INFJRBGGNA-N
InChICode InChI=1S/C28H33NO7/c1-17-8-6-10-21-26(3,12-11-19-14-22(31)34-16-19)28(5,33)24(35-18(2)30)23(27(17,21)4)36-25(32)20-9-7-13-29-15-20/h7-9,11-15,21,23-24,33H,6,10,16H2,1-5H3/b12-11+/t21-,23+,24+,26+,27+,28+/m1/s1
SMILES CC(=O)O[C@H]1[C@H](OC(=O)c2cccnc2)[C@@]2(C)C(C)=CCC[C@@H]2[C@@](C)(/C=C/C2=CC(=O)OC2)[C@@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria barbata Ref.
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OrganismScutellaria barbata
ReferenceDai,Chem.Pharm.Bull.,56,(2008),207