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CHEBI:213555 - AI-77-F

ChEBI IDCHEBI:213555
ChEBI NameAI-77-F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H23NO7
Net Charge0
Average Mass389.404
Monoisotopic Mass389.14745
SMILESCC(C)C[C@H](NC(=O)C(O)C1C=CC(=O)O1)[C@@H]1Cc2cccc(O)c2C(=O)O1
InChIInChI=1S/C20H23NO7/c1-10(2)8-12(21-19(25)18(24)14-6-7-16(23)27-14)15-9-11-4-3-5-13(22)17(11)20(26)28-15/h3-7,10,12,14-15,18,22,24H,8-9H2,1-2H3,(H,21,25)/t12-,14?,15-,18?/m0/s1
InChIKeyMXZNZZJLGOWQFM-MNSPSGFLSA-N
Species of MetaboliteComponentSourceComments
Bacillus pumilus (ncbitaxon:1408) - DOI (10.1016/0040-4039(82)80150-0)
ChEBI Ontology
Outgoing Relation(s)
AI-77-F (CHEBI:213555) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
2-hydroxy-N-[(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]-3-methylbutyl]-2-(5-oxo-2H-uran-2-yl)acetamide
Manual XrefsDatabases
8515734ChemSpider