input word = C00047012

Metabolite InformationStructural formula
Name Aristophyll B
Formula C34H36N4O4
Mw 564.27365567
CAS RN 40176-56-5
C_ID C00047012 ,
InChIKey KSZNDJLIGAQTAY-VXJKXJELSA-N
InChICode InChI=1S/C34H36N4O4/c1-9-21-17(3)24-13-25-19(5)23(11-12-32(39)41-7)30(37-25)16-31-33(34(40)42-8)20(6)27(38-31)15-29-22(10-2)18(4)26(36-29)14-28(21)35-24/h9,13-16,36-37H,1,10-12H2,2-8H3/b24-13-,25-13-,26-14-,27-15-,28-14-,29-15-,30-16-,31-16-
SMILES C\1/2=C/c3c(c(c(/C=C\4/C(=C(C(=N4)/C=c\4/c(c(/c(=C/C(=N2)C(=C1C)C(=O)OC)/[nH]4)CCC(=O)OC)C)C)C=C)[nH]3)C)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeAristolochiaceaeAristolochia elegans Ref.
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