input word = C00026594

Metabolite InformationStructural formula
Name (-)-Bisisomahanine
Formula C46H48N2O4
Mw 692.36140804
CAS RN 832726-58-6
C_ID C00026594 ,
InChIKey VTFGIJSSZQHPNT-UHFFFAOYNA-N
InChICode InChI=1S/C46H48N2O4/c1-25(2)11-9-19-45(7)21-17-31-35(51-45)15-13-29-33-23-27(5)43(49)37(41(33)47-39(29)31)38-42-34(24-28(6)44(38)50)30-14-16-36-32(40(30)48-42)18-22-46(8,52-36)20-10-12-26(3)4/h11-18,21-24,47-50H,9-10,19-20H2,1-8H3/t45-,46-/m1/s1
SMILES CC(C)=CCCC1(C)C=Cc2c(ccc3c2[nH]c2c(-c4c(O)c(C)cc5c4[nH]c4c6c(ccc45)OC(C)(CCC=C(C)C)C=C6)c(O)c(C)cc23)O1
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Pro
Organism
Kingdom Family Species Reference
PlantaeRutaceaeGlycosmis stenocarpa Ref.
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OrganismGlycosmis stenocarpa
ReferenceCuong,Chem.Pharm.Bull.,52,(2004),1175