input word = C00048838

Metabolite InformationStructural formula
Name Pterocellin E
Formula C32H30N4O6
Mw 566.21653472
CAS RN 1000598-25-3
C_ID C00048838 ,
InChIKey LYLGSTUCVSNTAR-UHFFFAOYSA-N
InChICode InChI=1S/C32H30N4O6/c1-15(2)11-19-25-17(7-9-33-19)29(37)27-23(31(39)21(41-5)13-35(25)27)24-28-30(38)18-8-10-34-20(12-16(3)4)26(18)36(28)14-22(42-6)32(24)40/h7-10,13-16H,11-12H2,1-6H3
SMILES COc1cn2c(c(-c3c4n(cc(OC)c3=O)-c3c(ccnc3CC(C)C)C4=O)c1=O)C(=O)c1ccnc(CC(C)C)c1-2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
AnimaliaCatenicellidaePterocella vesiculosa Ref.
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