input word = C00027699

Metabolite InformationStructural formula
Name 18-Hydroxyepialloyohimbine
Formula C21H26N2O4
Mw 370.18925733
CAS RN 81703-06-2
C_ID C00027699 ,
InChIKey MMVZFQGCDSDHSV-VDTODRCFNA-N
InChICode InChI=1S/C21H26N2O4/c1-27-21(26)18-14-9-16-19-13(12-4-2-3-5-15(12)22-19)6-7-23(16)10-11(14)8-17(24)20(18)25/h2-5,11,14,16-18,20,22,24-25H,6-10H2,1H3/t11-,14-,16-,17-,18+,20+/m1/s1
SMILES COC(=O)[C@@H]1[C@@H](O)[C@H](O)C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@@H]21
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeRauwolfia serpentina Ref.
PlantaeApocynaceaeRauwolfia sprucei Muell. Ref.
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