input word = C00040358

Metabolite InformationStructural formula
Name Spongotine B
Formula C20H15BrN4O
Mw 406.04292403
CAS RN 941298-00-6
C_ID C00040358 ,
InChIKey CIFUWIGYZJXRFR-UHFFFAOYNA-N
InChICode InChI=1S/C20H15BrN4O/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/h1-9,18,22-23H,10H2,(H,24,25)/t18-/m1/s1
SMILES O=C(C1=NCC(c2c[nH]c3ccccc23)N1)c1c[nH]c2cc(Br)ccc12
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
AnimaliaHalichondriidaeSpongosorites sp. Ref.
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