input word = C00025861

Metabolite InformationStructural formula
Name Ervafolidine
Formula C40H46N4O5
Mw 662.34682061
CAS RN 80293-76-1
C_ID C00025861 ,
InChIKey GWZISSWNXUYCSI-UHFFFAOYNA-N
InChICode InChI=1S/C40H46N4O5/c1-4-35-19-25-30-37(5-2,49-40(25)39(24-11-7-9-13-27(24)42-40)15-16-43(33(35)39)20-28-31(35)48-28)21-36-18-22(32(45)47-3)29-38(34(36)46,14-17-44(30)36)23-10-6-8-12-26(23)41-29/h6-13,25,28,30-31,33-34,41-42,46H,4-5,14-21H2,1-3H3/t25-,28+,30-,31+,33-,34-,35-,36-,37-,38+,39+,40+/m0/s1
SMILES CCC12CC34CC(C(=O)OC)=C5Nc6ccccc6C5(CCN3C1C1CC3(CC)C5OC5CN5CCC6(c7ccccc7NC16O2)C53)C4O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana pandacaqui Poir. Ref.
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OrganismTabernaemontana pandacaqui Poir.
ReferenceLathuilliere,Ann.Pharm.Fr.,28,(1970),57