input word = C00031335

Metabolite InformationStructural formula
Name Scutebarbatine L
(-)-Scutebarbatine L
Formula C33H41NO9
Mw 595.27813192
CAS RN 1039359-57-3
C_ID C00031335 ,
InChIKey QLQRVRCHRRIMMB-CACKZQTDNA-N
InChICode InChI=1S/C33H41NO9/c1-19(2)26(41-21(4)35)30(38)43-28-27(42-29(37)23-11-9-15-34-17-23)32(6)20(3)10-8-12-24(32)31(5,33(28,7)39)14-13-22-16-25(36)40-18-22/h9-11,13-17,19,24,26-28,39H,8,12,18H2,1-7H3/b14-13+/t24-,26-,27+,28+,31+,32+,33+/m1/s1
SMILES C1C=C([C@]2([C@H](C1)[C@]([C@@]([C@H]([C@@H]2OC(=O)c1cccnc1)OC(=O)[C@@H](C(C)C)OC(=O)C)(C)O)(C)/C=C/C1=CC(=O)OC1)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria barbata Ref.
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