input word = C00024599

Metabolite InformationStructural formula
Name Singapurensine C
(-)-Singapurensine C
Formula C24H26N2O9
Mw 486.16383044
CAS RN 158182-33-3
C_ID C00024599 ,
InChIKey STKRQLFEDPDVQL-CIDOGINDNA-N
InChICode InChI=1S/C24H26N2O9/c1-31-19(28)24(30)18-21-5-6-23(24)22(7-8-25(17(21)22)14(35-18)9-13(21)27)11-3-4-12-16(34-10-33-12)15(11)26(23)20(29)32-2/h3-4,13-14,17-18,27,30H,5-10H2,1-2H3/t13-,14-,17-,18+,21+,22+,23-,24+/m0/s1
SMILES c1c2c(c3c(c1)[C@@]14[C@@]5(N3C(=O)OC)CC[C@]36[C@@H]1N([C@H](C[C@@H]3O)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