input word = C00026951

Metabolite InformationStructural formula
Name Didemnoline A
Formula C16H13BrN4S
Mw 372.00443007
CAS RN 168434-22-8
C_ID C00026951 ,
InChIKey YZHAEUGBQYUUGB-UHFFFAOYSA-N
InChICode InChI=1S/C16H13BrN4S/c1-22-16-13(19-9-20-16)8-21-14-6-10(17)2-3-11(14)12-4-5-18-7-15(12)21/h2-7,9H,8H2,1H3,(H,19,20)
SMILES c1(ccc2c(c1)n(c1c2ccnc1)Cc1[nH]cnc1SC)Br
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate L-Phe L-His
Organism
Kingdom Family Species Reference
AnimaliaDidemnidaeDidemnum sp. Ref.
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OrganismDidemnum sp.
ReferenceSchumacher,Tetrahedron,51,(1995),10125