input word = C00025410

Metabolite InformationStructural formula
Name 20-Epipandoline
(+)-20-Epipandoline
20-epi-Pandoline
7-Epipandoline
Epipandoline
Formula C21H26N2O3
Mw 354.19434271
CAS RN 56698-80-7
C_ID C00025410 ,
InChIKey CPNXQIOMUYAVKQ-GAQOCPINNA-N
InChICode InChI=1S/C21H26N2O3/c1-3-20(25)11-13-10-14(19(24)26-2)17-21(8-9-23(12-20)18(13)21)15-6-4-5-7-16(15)22-17/h4-7,13,18,22,25H,3,8-12H2,1-2H3/t13-,18+,20-,21+/m0/s1
SMILES CC[C@]1(O)C[C@@H]2CC(C(=O)OC)=C3Nc4ccccc4[C@]34CCN(C1)[C@H]24
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeErvatamia lifuana Ref.
PlantaeApocynaceaeErvatamia obtusiuscula Ref.
PlantaeApocynaceaeMelodinus polyadenus Ref.
PlantaeApocynaceaeTabernaemontana calcarea Pichon Ref.
PlantaeApocynaceaeTabernaemontana citrifolia Ref.
PlantaeApocynaceaeTabernaemontana orientalis R.Br. Ref.
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OrganismErvatamia obtusiuscula
ReferenceAllorge,J.Nat.Prod.,43,(1980),514

Bruneton,Tetrahedron Lett.,(1976),3567