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 O=C(C1=NC[C@H](c2c[nH]c3cc(Br)ccc23)N1)c1c[nH]c2ccccc12
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
AnimaliaHalichondriidaeSpongosorites sp. Ref.
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