input word = C00042764

Metabolite InformationStructural formula
Name Neosalvianen
Formula C21H21NO2
Mw 319.15722892
CAS RN 790673-00-6
C_ID C00042764 ,
InChIKey XIEAHUZPQQITDN-UHFFFAOYSA-N
InChICode InChI=1S/C21H21NO2/c1-11-10-23-19-14-7-8-15-13(6-5-9-21(15,3)4)17(14)20-18(16(11)19)22-12(2)24-20/h7-8,10H,5-6,9H2,1-4H3
SMILES c12c3c(c4c(c1nc(o2)C)c(co4)C)ccc1c3CCCC1(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia miltiorrhiza Ref.
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OrganismSalvia miltiorrhiza
ReferenceDon,J.Nat.Prod.,68,(2005),1066