input word = C00025565

Metabolite InformationStructural formula
Name Grahamine
Grahamine(Schizanthus)
Formula C48H61N3O12
Mw 871.42552444
CAS RN 125685-27-0
C_ID C00025565 ,
InChIKey KMPLMDQWOSMUKO-BHEPVOAONA-N
InChICode InChI=1S/C48H61N3O12/c1-8-25(3)58-44(54)33-18-27-15-31(21-34(33)49(27)5)61-45(55)41-40(26-12-10-9-11-13-26)42-46(56)62-37-19-29-17-32(23-35(37)50(29)6)60-43(53)24(2)14-39(52)59-30-16-28-20-38(36(22-30)51(28)7)63-47(57)48(41,42)4/h8-14,27-38,40-42H,15-23H2,1-7H3/b24-14-,25-8-/t27-,28-,29+,30-,31-,32-,33-,34+,35-,36+,37+,38-,40-,41+,42-,48+/m0/s1
SMILES C/C=C(/C)OC(=O)C1CC2CC(OC(=O)C3C(c4ccccc4)C4C(=O)OC5CC6CC(CC5N6C)OC(=O)/C(C)=CC(=O)OC5CC6CC(OC(=O)C34C)C(C5)N6C)CC1N2C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp L-Phe
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCrotalaria grahamiana R.Wight et Walk.Arm. Ref.
PlantaeSolanaceaeSchizanthus grahamii Ref.
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OrganismCrotalaria grahamiana R.Wight et Walk.Arm.
ReferenceAtal,Aust.J.Chem.,22,(1969)1773