input word = C00048254

Metabolite InformationStructural formula
Name 15-Methoxyvelutine C
(+)-15-Methoxyvelutine C
Formula C21H28O7
Mw 392.18350325
CAS RN 1158964-11-4
C_ID C00048254 ,
InChIKey LSTFFAPLZIYYPK-HJEMSFFKNA-N
InChICode InChI=1S/C21H28O7/c1-11-9-13-16-19(2,7-6-14(22)20(16,3)18(24)27-13)21(11,25)8-5-12-10-15(26-4)28-17(12)23/h10-11,13,15-16,25H,5-9H2,1-4H3/t11-,13-,15-,16-,19+,20+,21-/m1/s1
SMILES C1C(=O)[C@]2([C@H]3[C@](C1)([C@@]([C@@H](C[C@H]3OC2=O)C)(O)CCC1=C[C@@H](OC1=O)OC)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMarrubium thessalum Ref.
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OrganismMarrubium thessalum
ReferenceArgyropoulou,Phytochem.,70,(2009),635