input word = C00025871

Metabolite InformationStructural formula
Name Excelsinine
Aspexcine
Formula C22H28N2O4
Mw 384.2049074
CAS RN 15218-17-4
C_ID C00025871 ,
InChIKey NXFSMEXZBFREEO-VBVDASIENA-N
InChICode InChI=1S/C22H28N2O4/c1-27-13-4-5-17-16(9-13)14-7-8-24-11-12-3-6-19(25)20(22(26)28-2)15(12)10-18(24)21(14)23-17/h4-5,9,12,15,18-20,23,25H,3,6-8,10-11H2,1-2H3/t12-,15+,18-,19-,20-/m0/s1
SMILES COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4CCN3C[C@@H]2CC[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAspidosperma excelsum Benth. Ref.
PlantaeRanunculaceaeAconitum excelsum Reichb. Ref.
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