input word = C00028338

Metabolite InformationStructural formula
Name Hemibastadinol 1
Formula C17H17Br2NO4
Mw 456.95243384
CAS RN 182806-09-3
C_ID C00028338 ,
InChIKey XDXWMGYLNXERJK-XISACWJONA-N
InChICode InChI=1S/C17H17Br2NO4/c18-12-7-10(1-3-14(12)21)5-6-20-17(24)16(23)9-11-2-4-15(22)13(19)8-11/h1-4,7-8,16,21-23H,5-6,9H2,(H,20,24)/t16-/m0/s1
SMILES O=C(NCCc1ccc(O)c(Br)c1)[C@@H](O)Cc1ccc(O)c(Br)c1
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
--Ianthella basta Ref.
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