input word = C00042231

Metabolite InformationStructural formula
Name Aplysinopsin
Formula C14H14N4O
Mw 254.1167611
CAS RN 63153-56-0
C_ID C00042231 ,
InChIKey AZGOVLGMSGAOMP-FZYUQVBKSA-N
InChICode InChI=1S/C14H14N4O/c1-17-12(13(19)18(2)14(17)15)7-9-8-16-11-6-4-3-5-10(9)11/h3-8,15-16H,1-2H3/b12-7+,15-14+
SMILES c1ccc2c(c1)[nH]cc2/C=C\1/N(C(=N)N(C1=O)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
--Smenospongia sp. specimen (UCSC coll.no.91111) Ref.
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