input word = C00024585

Metabolite InformationStructural formula
Name Obscurinervidine
Formula C24H28N2O5
Mw 424.19982202
CAS RN 7168-67-4
C_ID C00024585 ,
InChIKey DTJNFCUPFGKVAV-MRKPJDBLNA-N
InChICode InChI=1S/C24H28N2O5/c1-13-12-30-21-19-14(9-15(28-2)20(21)29-3)24-6-8-25-7-4-5-23(22(24)25)11-18(27)31-17(23)10-16(24)26(13)19/h4-5,9,13,16-17,22H,6-8,10-12H2,1-3H3/t13-,16-,17+,22+,23+,24-/m1/s1
SMILES c1(c(c2c3c(c1)[C@]14[C@H](N3[C@@H](CO2)C)C[C@H]2[C@@]3([C@@H]1N(CC=C3)CC4)CC(=O)O2)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAspidosperma cruenta Ref.
PlantaeApocynaceaeAspidosperma obscurinervum Ref.
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OrganismAspidosperma cruenta
ReferenceHarper,J.Crystallogr.Spectroscop.Res.,23,(1993),1005