input word = C00031328

Metabolite InformationStructural formula
Name Scutebarbatine E
(-)-Scutebarbatine E
Formula C33H33NO8
Mw 571.22061704
CAS RN 910099-77-3
C_ID C00031328 ,
InChIKey QIEGXQSSMCKBHF-ORNDJHBCNA-N
InChICode InChI=1S/C33H33NO8/c1-20-24(35)12-13-25-31(2,15-14-21-17-26(36)40-19-21)33(4,39)28(42-29(37)22-9-6-5-7-10-22)27(32(20,25)3)41-30(38)23-11-8-16-34-18-23/h5-11,14-18,25,27-28,39H,1,12-13,19H2,2-4H3/b15-14+/t25-,27+,28+,31+,32+,33+/m1/s1
SMILES C1C(=O)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
Start Substs in Alk. Biosynthesis (Prediction) L-Asp IPP L-His
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria barbata D.DON. Ref.
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