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CHEBI:206829 - Monocillin VI

ChEBI IDCHEBI:206829
ChEBI NameMonocillin VI
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O6
Net Charge0
Average Mass334.368
Monoisotopic Mass334.14164
SMILESC[C@H]1OC(=O)c2c(O)cc(O)cc2CC(=O)CCCC/C=C/[C@@H]1O
InChIInChI=1S/C18H22O6/c1-11-15(21)7-5-3-2-4-6-13(19)8-12-9-14(20)10-16(22)17(12)18(23)24-11/h5,7,9-11,15,20-22H,2-4,6,8H2,1H3/b7-5+/t11-,15+/m1/s1
InChIKeyPUBJBUSNXLSOQM-YWDVGMFKSA-N
Species of MetaboliteComponentSourceComments
Pochonia chlamydosporia (ncbitaxon:280754) - PubMed (31244199)
Clavicipitaceaespecies SC0924 (ncbitaxon:1710628) - PubMed (28749671)
ChEBI Ontology
Outgoing Relation(s)
Monocillin VI (CHEBI:206829) is a macrolide (CHEBI:25106)
IUPAC Names 
(4R,5S,6E)-5,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione
(4R,6E,10Z)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione
Manual XrefsDatabases
78438984ChemSpider