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CHEBI:206835 - Monocillin VII

ChEBI IDCHEBI:206835
ChEBI NameMonocillin VII
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O5
Net Charge0
Average Mass290.315
Monoisotopic Mass290.11542
SMILESC[C@@H]1CC=CC[C@H](O)C=Cc2cc(O)cc(O)c2C(=O)O1
InChIInChI=1S/C16H18O5/c1-10-4-2-3-5-12(17)7-6-11-8-13(18)9-14(19)15(11)16(20)21-10/h2-3,6-10,12,17-19H,4-5H2,1H3/t10-,12+/m1/s1
InChIKeyAZMKCFOOYMQAIQ-PWSUYJOCSA-N
Species of MetaboliteComponentSourceComments
Pochonia chlamydosporia (ncbitaxon:280754) - PubMed (31244199)
Clavicipitaceaespecies SC0924 (ncbitaxon:1710628) - PubMed (28749671)
ChEBI Ontology
Outgoing Relation(s)
Monocillin VII (CHEBI:206835) is a macrolide (CHEBI:25106)
IUPAC Names 
(4R,9S)-9,14,16-trihydroxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),6,10,13,15-pentaen-2-one
(1R,13R,15S)-7,9-dihydroxy-13-methyl-12,19-dioxatricyclo[13.3.1.05,10]nonadeca-5(10),6,8,16-tetraene-3,11-dione
Manual XrefsDatabases
78438989ChemSpider