input word = C00026224

Metabolite InformationStructural formula
Name Rosmarinine N-oxide
Formula C18H27NO7
Mw 369.17875222
CAS RN 149415-56-5
C_ID C00026224 ,
InChIKey QTCRXZRCLRRRCO-XBACQWIHNA-N
InChICode InChI=1S/C18H27NO7/c1-4-11-7-10(2)18(3,23)17(22)25-9-12-13(20)8-19(24)6-5-14(15(12)19)26-16(11)21/h4,10,12-15,20,23H,5-9H2,1-3H3/b11-4-/t10-,12+,13-,14-,15-,18-,19+/m1/s1
SMILES C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@@H]2[C@@H]3[C@@H](CC[N+]3([O-])C[C@H]2O)OC1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSenecio runcinatus Ref.
PlantaeAsteraceaeWerneria nubigena Ref.
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