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CHEBI:200268 - Monocillin IV

ChEBI IDCHEBI:200268
ChEBI NameMonocillin IV
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O5
Net Charge0
Average Mass318.369
Monoisotopic Mass318.14672
SMILESC[C@@H]1C/C=C/CCCCC(=O)Cc2cc(O)cc(O)c2C(=O)O1
InChIInChI=1S/C18H22O5/c1-12-7-5-3-2-4-6-8-14(19)9-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,5,10-12,20-21H,2,4,6-9H2,1H3/b5-3+/t12-/m1/s1
InChIKeyWSBASKMWDAUNEI-OGOUPESXSA-N
Species of MetaboliteComponentSourceComments
Monocillium nordinii (ncbitaxon:2075171) - DOI (10.1139/m80-133)
ChEBI Ontology
Outgoing Relation(s)
Monocillin IV (CHEBI:200268) is a macrolide (CHEBI:25106)
IUPAC Name 
(4R,6E)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione
Manual XrefsDatabases
20115672ChemSpider