input word = C00026967

Metabolite InformationStructural formula
Name Isobromodeoxytopsentin
Formula C20H13BrN4O
Mw 404.02727397
CAS RN 223596-72-3
C_ID C00026967 ,
InChIKey BEDNSRVQPOJNPU-UHFFFAOYSA-N
InChICode InChI=1S/C20H13BrN4O/c21-11-5-6-13-15(9-23-17(13)7-11)19(26)20-24-10-18(25-20)14-8-22-16-4-2-1-3-12(14)16/h1-10,22-23H,(H,24,25)
SMILES O=C(c1ncc(-c2c[nH]c3ccccc23)[nH]1)c1c[nH]c2cc(Br)ccc12
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
AnimaliaHalichondriidaeSpongosorites genitrix Ref.
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OrganismSpongosorites genitrix
ReferenceShin,J.Nat.Prod.,62,(1999),647