input word = C00026568

Metabolite InformationStructural formula
Name Kirondrine
Formula C30H28N4O4
Mw 508.21105541
CAS RN 198541-68-3
C_ID C00026568 ,
InChIKey ZLXVSSDCCKVREE-UHFFFAOYNA-N
InChICode InChI=1S/C30H28N4O4/c1-35-16-9-11-19-20(12-16)32-28-22-6-5-7-23(34(22)15-25(38-4)27(19)28)29-30-26(24(37-3)14-31-29)18-10-8-17(36-2)13-21(18)33-30/h8-15,23,33H,5-7H2,1-4H3/t23-/m1/s1
SMILES COc1ccc2c3c(OC)cn4c(c-3nc2c1)CCCC4c1ncc(OC)c2c1[nH]c1cc(OC)ccc12
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaePerriera madagascariensis Ref.
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