input word = C00039584

Metabolite InformationStructural formula
Name Kopsimaline C
(-)-Kopsimaline C
Formula C24H28N2O9
Mw 488.17948051
CAS RN 1005004-48-7
C_ID C00039584 ,
InChIKey GXDHEFQHGXMJAL-PCGNHGQKNA-N
InChICode InChI=1S/C24H28N2O9/c1-32-12-5-4-11-14(15(12)27)26(20(30)34-3)23-7-6-21(18(28)24(23,31)19(29)33-2)16-13(35-16)10-25-9-8-22(11,23)17(21)25/h4-5,13,16-18,27-28,31H,6-10H2,1-3H3/t13-,16-,17-,18+,21+,22+,23-,24+/m0/s1
SMILES [C@]123[C@]4(CC[C@@]5([C@@H]1N(C[C@H]1[C@@H]5O1)CC3)[C@H]([C@]4(C(=O)OC)O)O)N(c1c2ccc(c1O)OC)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeKopsia singapurensis Ref.
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