input word = C00025907

Metabolite InformationStructural formula
Name Isogilletine N-oxide
Formula C35H34N2O7
Mw 594.23660146
CAS RN 77431-57-3
C_ID C00025907 ,
InChIKey DJJSAIRLTRARJX-UHFFFAOYNA-N
InChICode InChI=1S/C35H34N2O7/c1-37(39)13-11-22-18-29(41-3)33-35-31(22)25(37)15-20-6-9-27(40-2)28(16-20)42-23-7-4-19(5-8-23)14-24-30-21(10-12-36-24)17-26(38)32(43-35)34(30)44-33/h4-9,16-18,24-25,36,38H,10-15H2,1-3H3/t24-,25+,37+/m1/s1
SMILES c12c3Oc4c(O1)c1c(cc4OC)CCN(=O)([C@H]1Cc1cc(c(cc1)OC)Oc1ccc(C[C@@H]4c3c(cc2O)CCN4)cc1)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeTriclisia gilletii (De Wild.) Staner Ref.
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OrganismTriclisia gilletii (De Wild.) Staner
ReferenceDwuma-Badu,Heterocycles,9,(1978),995