input word = C00008974

Metabolite InformationStructural formula
Name Kopsirachine
Formula C37H52N2O6
Mw 620.38253741
CAS RN 89759-08-0
C_ID C00008974 ,
InChIKey DSKQOOJRLGQDOK-LKVVEROINA-N
InChICode InChI=1S/C37H52N2O6/c1-17-7-10-22-19(3)15-38(5)32(28(17)22)30-34(43)24-14-27(42)36(21-9-12-25(40)26(41)13-21)45-37(24)31(35(30)44)33-29-18(2)8-11-23(29)20(4)16-39(33)6/h9,12-13,17-20,22-23,27-29,32-33,36,40-44H,7-8,10-11,14-16H2,1-6H3/t17-,18+,19+,20-,22+,23-,27-,28+,29-,32+,33-,36-/m1/s1
SMILES CC1CN(C)C(c2c(O)c3c(c(C4C5C(C)CCC5C(C)CN4C)c2O)O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C3)C2C(C)CCC12
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeKopsia dasyrachis Ref.
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