input word = C00031331

Metabolite InformationStructural formula
Name Scutebarbatine H
(-)-Scutebarbatine H
Formula C26H31NO7
Mw 469.21005235
CAS RN 1022089-83-3
C_ID C00031331 ,
InChIKey ADBRHQRSKHISPR-CEXIEWSKNA-N
InChICode InChI=1S/C26H31NO7/c1-14-7-5-9-17-24(14,2)21(34-22(29)15-8-6-10-27-12-15)20(28)26(4,31)25(17,3)18-11-16-13-32-23(30)19(16)33-18/h6-8,10,12,17-18,20-21,28,31H,5,9,11,13H2,1-4H3/t17-,18+,20-,21-,24-,25-,26-/m0/s1
SMILES C1C=C([C@]2([C@H](C1)[C@@]([C@]([C@H]([C@@H]2OC(=O)c1cccnc1)O)(O)C)(C)[C@H]1CC2=C(O1)C(=O)OC2)C)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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