input word = C00047011

Metabolite InformationStructural formula
Name Aristophyll A
(-)-Aristophyll A
Formula C34H38N4O4
Mw 566.28930573
CAS RN 5522-73-6
C_ID C00047011 ,
InChIKey NKTGSHCJJZKJTR-VYXQCQIWNA-N
InChICode InChI=1S/C34H38N4O4/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/h9,13-16,19,23,35,38H,1,10-12H2,2-8H3/b24-13-,25-13-,26-14-,27-15-,28-14-,29-15-,30-16-,31-16-/t19-,23-/m0/s1
SMILES c\1/2=C/C3=N/C(=C\c4c(c(c(/C=C\5/[C@H]([C@@H](C(=N5)/C=c(/c(c1C)C(=O)OC)\[nH]2)CCC(=O)OC)C)[nH]4)C)C=C)/C(=C3CC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeAristolochiaceaeAristolochia elegans Ref.
zoom in