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 c1ccc2c(c1)c1c([nH]2)[C@@H]2N(CC1)C[C@@H]1[C@@H](C2)[C@@H]([C@H]([C@@H](C1)O)O)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeRauwolfia serpentina Ref.
PlantaeApocynaceaeRauwolfia sprucei Muell. Ref.
zoom in