input word = C00029141

Metabolite InformationStructural formula
Name Topsentin
Topsentin B1
Formula C20H14N4O2
Mw 342.11167572
CAS RN 112515-43-2
C_ID C00029141 ,
InChIKey TVPNFKRGOFJQOO-UHFFFAOYSA-N
InChICode InChI=1S/C20H14N4O2/c25-11-5-6-13-15(9-22-17(13)7-11)19(26)20-23-10-18(24-20)14-8-21-16-4-2-1-3-12(14)16/h1-10,21-22,25H,(H,23,24)
SMILES c1(cnc([nH]1)C(=O)c1c[nH]c2c1ccc(c2)O)c1c[nH]c2c1cccc2
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