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 C1C=C([C@]2([C@H](C1)[C@@]1([C@]([C@H]([C@@H]2OC(=O)c2cnccc2)OC(=O)C)(O[C@@]2(C[C@@H]1OC(=O)C)CC(=O)OC2)C)C)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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