CHEBI:214174 - Bagremycin F

ChEBI IDCHEBI:214174
ChEBI NameBagremycin F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22N2O6S
Net Charge0
Average Mass430.482
Monoisotopic Mass430.11986
SMILESC=Cc1ccc(OC(=O)c2ccc(O)c(N)c2SC[C@@H](NC(C)=O)C(=O)OC)cc1
InChIInChI=1S/C21H22N2O6S/c1-4-13-5-7-14(8-6-13)29-20(26)15-9-10-17(25)18(22)19(15)30-11-16(21(27)28-3)23-12(2)24/h4-10,16,25H,1,11,22H2,2-3H3,(H,23,24)/t16-/m1/s1
InChIKeyDIBMSUDUIWTZJY-MRXNPFEDSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (30213054)
ChEBI Ontology
Outgoing Relation(s)
Bagremycin F (CHEBI:214174) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(4-ethenylphenyl) 2-[(2S)-2-acetamido-3-methoxy-3-oxopropyl]sulanyl-3-amino-4-hydroxybenzoate
Manual XrefsDatabases
78439284ChemSpider