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CHEBI:207291 - Ashimide B

ChEBI IDCHEBI:207291
ChEBI NameAshimide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H19ClN4O9
Net Charge0
Average Mass482.833
Monoisotopic Mass482.08406
SMILESCN1C(=O)CN2C(=O)[C@H](COC(=O)c3cccc4c3NC(=O)C(O)(CO)O4)NC(=O)[C@]12CCl
InChIInChI=1S/C19H19ClN4O9/c1-23-12(26)5-24-14(27)10(21-16(29)18(23,24)7-20)6-32-15(28)9-3-2-4-11-13(9)22-17(30)19(31,8-25)33-11/h2-4,10,25,31H,5-8H2,1H3,(H,21,29)(H,22,30)/t10-,18+,19?/m0/s1
InChIKeyKPJFZDGJKLVKPY-XBAUIOEMSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies NA03103 (ncbitaxon:2742134) - PubMed (30996885)
ChEBI Ontology
Outgoing Relation(s)
Ashimide B (CHEBI:207291) is a benzoxazine (CHEBI:46969)
IUPAC Name 
[(6S,8aS)-8a-(chloromethyl)-1-methyl-2,5,8-trioxo-6,7-dihydro-3H-imidazo[1,2-a]pyrazin-6-yl]methyl 2-hydroxy-2-(hydroxymethyl)-3-oxo-4H-1,4-benzoxazine-5-carboxylate
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73930446ChemSpider