input word = C00028975

Metabolite InformationStructural formula
Name Scutebarbatine A
Formula C32H34N2O7
Mw 558.23660146
CAS RN 176520-13-1
C_ID C00028975 ,
InChIKey CFCKNUOZCOKYOO-DWWSQBTLNA-N
InChICode InChI=1S/C32H34N2O7/c1-20-8-5-11-24-30(2,13-12-21-16-25(35)39-19-21)32(4,38)27(41-29(37)23-10-7-15-34-18-23)26(31(20,24)3)40-28(36)22-9-6-14-33-17-22/h6-10,12-18,24,26-27,38H,5,11,19H2,1-4H3/b13-12+/t24-,26+,27+,30+,31+,32+/m1/s1
SMILES [C@H]1([C@@]([C@@]([C@@H]2[C@@]([C@H]1OC(=O)c1cnccc1)(C(=CCC2)C)C)(C)/C=C/C1=CC(=O)OC1)(O)C)OC(=O)c1cccnc1
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Asp IPP L-His
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria barbata D.Don Ref.
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OrganismScutellaria barbata D.Don
ReferenceWang,Chin.Chem.Lett.,7,(1996),333