input word = C00031332

Metabolite InformationStructural formula
Name Scutebarbatine I
(-)-Scutebarbatine I
Formula C30H41NO8
Mw 543.28321729
CAS RN 1039359-54-0
C_ID C00031332 ,
InChIKey QKISVSHUNJJKNY-HFKZLMPDNA-N
InChICode InChI=1S/C30H41NO8/c1-5-34-25-14-21-13-23(38-27(21)39-25)28(4)18(2)12-24(37-26(33)20-8-7-11-31-15-20)30(17-35-19(3)32)22(28)9-6-10-29(30)16-36-29/h7-8,11,15,18,21-25,27H,5-6,9-10,12-14,16-17H2,1-4H3/t18-,21+,22-,23+,24+,25-,27-,28+,29+,30+/m1/s1
SMILES CCO[C@H]1C[C@@H]2C[C@@H]([C@@]3(C)[C@H](C)C[C@H](OC(=O)c4cccnc4)[C@]4(COC(C)=O)[C@@H]3CCC[C@]43CO3)O[C@@H]2O1
Start Substs in Alk. Biosynthesis (Prediction) 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