input word = C00038141

Metabolite InformationStructural formula
Name 12E-Bromoisorumbrin
Formula C20H20BrNO3
Mw 401.06265641
CAS RN 934303-14-7
C_ID C00038141 ,
InChIKey KBQKGOONYFCSHH-NBWHIMRISA-N
InChICode InChI=1S/C20H20BrNO3/c1-14(18-13-19(24-3)15(2)20(23)25-18)9-7-5-4-6-8-10-17-16(21)11-12-22-17/h4-13,22H,1-3H3/b6-4+,7-5+,10-8+,14-9+
SMILES c1cc(c([nH]1)/C=C/C=C/C=C/C=C(/c1cc(c(c(=O)o1)C)OC)\C)Br
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate
Organism
Kingdom Family Species Reference
FungiGymnoascaceaeGymnoascus reessii MST-F9977 Ref.
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