input word = C00040357

Metabolite InformationStructural formula
Name Spongotine A
(-)-Spongotine
Formula C20H15BrN4O
Mw 406.04292403
CAS RN 116747-40-1
C_ID C00040357 ,
InChIKey BYNAFSYAUGRDSZ-LGWFVXIRNA-N
InChICode InChI=1S/C20H15BrN4O/c21-11-5-6-13-14(8-23-17(13)7-11)18-10-24-20(25-18)19(26)15-9-22-16-4-2-1-3-12(15)16/h1-9,18,22-23H,10H2,(H,24,25)/t18-/m1/s1
SMILES [C@@H]1(CN=C(N1)C(=O)c1c[nH]c2c1cccc2)c1c[nH]c2c1ccc(c2)Br
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
AnimaliaHalichondriidaeSpongosorites sp. Ref.
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OrganismSpongosorites sp.
ReferenceBao,J.Nat.Prod.,70,(2007),2