input word = C00025747

Metabolite InformationStructural formula
Name 3-Epiervafolidine
Epiervafolidine
Formula C40H46N4O5
Mw 662.34682061
CAS RN 80338-95-0
C_ID C00025747 ,
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 c1ccc2c(c1)[C@@]13C(=C(C[C@]4([C@@H]1O)C[C@@]1([C@H](N4CC3)[C@H]3[C@@]4(O1)[C@]1([C@H]5[C@@](C3)([C@@H]3[C@H](CN5CC1)O3)CC)c1c(N4)cccc1)CC)C(=O)OC)N2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana pandacaqui Poir. Ref.
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