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 c12c(c3c([nH]1)c(c(c(c3)C)O)c1c3c(c4c([nH]3)c3c(cc4)O[C@@](C=C3)(CCC=C(C)C)C)cc(c1O)C)ccc1c2C=C[C@](O1)(CCC=C(C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Pro
Organism
Kingdom Family Species Reference
PlantaeRutaceaeGlycosmis stenocarpa Ref.
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