input word = C00031326

Metabolite InformationStructural formula
Name Scutebarbatine C
(-)-Scutebarbatine C
Formula C33H35NO8
Mw 573.2362671
CAS RN 910099-75-1
C_ID C00031326 ,
InChIKey XOXFENMJJYQPJP-MYNOXZQJNA-N
InChICode InChI=1S/C33H35NO8/c1-30(16-14-21-18-25(35)40-20-21)24-13-8-15-31(2,38)32(24,3)26(41-29(37)23-12-9-17-34-19-23)27(33(30,4)39)42-28(36)22-10-6-5-7-11-22/h5-12,14-19,24,26-27,38-39H,13,20H2,1-4H3/b16-14+/t24-,26+,27+,30+,31+,32+,33+/m1/s1
SMILES C1=C[C@@]([C@]2([C@H](C1)[C@]([C@]([C@H]([C@@H]2OC(=O)c1cnccc1)OC(=O)c1ccccc1)(O)C)(C)/C=C/C1=CC(=O)OC1)C)(O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria barbata D.DON. Ref.
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