input word = C00038434

Metabolite InformationStructural formula
Name Ambiguine J isonitrile
Formula C26H30N2O3
Mw 418.22564284
CAS RN 929706-02-5
C_ID C00038434 ,
InChIKey GTBYKMVNBWUXSM-JMOGJPQLNA-N
InChICode InChI=1S/C26H30N2O3/c1-8-23(6)13-12-16-21(2,3)14-10-9-11-15-17(14)24(29)20(28-15)22(4,5)18-19(31-18)25(23,27-7)26(16,24)30/h8-11,16,18-19,29-30H,1,12-13H2,2-6H3/t16-,18-,19+,23+,24-,25+,26-/m1/s1
SMILES [C-]#[N+][C@]12[C@H]3O[C@H]3C(C)(C)C3=Nc4cccc5c4[C@]3(O)[C@]1(O)[C@H](CC[C@]2(C)C=C)C5(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
--Fischerella sp. Ref.
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OrganismFischerella sp.
ReferenceRaveh,J.Nat.Prod.,70,(2007),196