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CHEBI:208031 - 4'-methoxymonocillin IV

ChEBI IDCHEBI:208031
ChEBI Name4'-methoxymonocillin IV
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O6
Net Charge0
Average Mass348.395
Monoisotopic Mass348.15729
SMILESCO[C@@H]1CC/C=C/C[C@@H](C)OC(=O)c2c(O)cc(O)cc2CC(=O)C1
InChIInChI=1S/C19H24O6/c1-12-6-4-3-5-7-16(24-2)10-14(20)8-13-9-15(21)11-17(22)18(13)19(23)25-12/h3-4,9,11-12,16,21-22H,5-8,10H2,1-2H3/b4-3+/t12-,16-/m1/s1
InChIKeyJJIOMTUAXLXSBA-KWTXBODISA-N
Species of MetaboliteComponentSourceComments
Clavicipitaceaespecies SC0924 (ncbitaxon:1710628) - PubMed (28749671)
ChEBI Ontology
Outgoing Relation(s)
4'-methoxymonocillin IV (CHEBI:208031) is a macrolide (CHEBI:25106)
IUPAC Name 
(4R,6E,10R)-16,18-dihydroxy-10-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione
Manual XrefsDatabases
78438990ChemSpider