input word = C00024600

Metabolite InformationStructural formula
Name Singapurensine D
(-)-Singapurensine D
Formula C25H28N2O9
Mw 500.17948051
CAS RN 158182-17-3
C_ID C00024600 ,
InChIKey FATPEVYALCFKAP-XGZNURDGNA-N
InChICode InChI=1S/C25H28N2O9/c1-31-14-10-15-26-9-8-23-12-4-5-13-17(35-11-34-13)16(12)27(21(29)33-3)24(23)7-6-22(14,18(23)26)19(36-15)25(24,30)20(28)32-2/h4-5,14-15,18-19,30H,6-11H2,1-3H3/t14-,15-,18-,19+,22+,23+,24-,25+/m0/s1
SMILES c1c2c(c3c(c1)[C@@]14[C@@]5(N3C(=O)OC)CC[C@]36[C@@H]1N([C@H](C[C@@H]3OC)O[C@H]6[C@]5(C(=O)OC)O)CC4)OCO2
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeKopsia singapurensis Ref.
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OrganismKopsia singapurensis
ReferenceAwang,Nat.Prod.Lett.,3,(1993),283