input word = C00042160

Metabolite InformationStructural formula
Name 6-Bromo-1'-hydroxy-1',8-dihydroaplysinopsin
Formula C14H15BrN4O2
Mw 350.03783865
CAS RN 868830-18-6
C_ID C00042160 ,
InChIKey NPKCNVDEQUTUJO-UHFFFAOYNA-N
InChICode InChI=1S/C14H15BrN4O2/c1-18-12(20)14(21,19(2)13(18)16)6-8-7-17-11-5-9(15)3-4-10(8)11/h3-5,7,16-17,21H,6H2,1-2H3/b16-13+/t14-/m0/s1
SMILES c1(ccc2c(c1)[nH]cc2C[C@@]1(C(=O)N(C(=N)N1C)C)O)Br
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
--Thorectandra sp. NCI coll.no.0CDN5714 Ref.
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