input word = C00031329

Metabolite InformationStructural formula
Name Scutebarbatine F
(-)-Scutebarbatine F
Formula C30H37NO9
Mw 555.24683179
CAS RN 910099-78-4
C_ID C00031329 ,
InChIKey PGDYKRFBYIVCFR-PJHAWQCLNA-N
InChICode InChI=1S/C30H37NO9/c1-17-9-7-11-21-27(17,4)24(39-26(35)20-10-8-12-31-15-20)25(38-19(3)33)29(6)28(21,5)22(37-18(2)32)13-30(40-29)14-23(34)36-16-30/h8-10,12,15,21-22,24-25H,7,11,13-14,16H2,1-6H3/t21-,22-,24-,25-,27-,28-,29-,30-/m0/s1
SMILES CC(=O)O[C@H]1C[C@]2(COC(=O)C2)O[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(=O)c3cccnc3)[C@@]3(C)C(C)=CCC[C@@H]3[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria barbata D.DON. Ref.
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