input word = C00042298

Metabolite InformationStructural formula
Name Botryllamide C
Debromobotryllamide A
Formula C19H18BrNO4
Mw 403.04192097
CAS RN 163564-66-7
C_ID C00042298 ,
InChIKey UCXFHNQSLPZQNU-IGZKKZBOSA-N
InChICode InChI=1S/C19H18BrNO4/c1-24-17-8-5-14(11-16(17)20)9-10-21-19(23)18(25-2)12-13-3-6-15(22)7-4-13/h3-12,22H,1-2H3,(H,21,23)/b10-9+,18-12-
SMILES c1(ccc(cc1Br)/C=C/NC(=O)/C(=C/c1ccc(cc1)O)/OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Anthranilate
Organism
Kingdom Family Species Reference
AnimaliaBotryllidaeBotrylloides perspicuum Ref.
AnimaliaBotryllidaeBotrylloides tyreum Ref.
zoom in