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CHEBI:221006 - Monocillin II

ChEBI IDCHEBI:221006
ChEBI NameMonocillin II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20O5
Net Charge0
Average Mass316.353
Monoisotopic Mass316.13107
SMILESC[C@@H]1C/C=C/CC/C=C/C(=O)Cc2cc(O)cc(O)c2C(=O)O1
InChIInChI=1S/C18H20O5/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/h3,5-6,8,10-12,20-21H,2,4,7,9H2,1H3/b5-3+,8-6+/t12-/m1/s1
InChIKeyAGKSYPMAQRUJJY-RNLVMQRLSA-N
Species of MetaboliteComponentSourceComments
Monocillium (ncbitaxon:581188) - DOI (10.1139/m80-133)
ChEBI Ontology
Outgoing Relation(s)
Monocillin II (CHEBI:221006) is a macrolide (CHEBI:25106)
IUPAC Name 
(4R,6E,10E)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione
Manual XrefsDatabases
9636069ChemSpider