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CHEBI:199740 - 5-deoxyenterocin

Default Structure
ChEBI IDCHEBI:199740
ChEBI Name5-deoxyenterocin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O9
Net Charge0
Average Mass428.393
Monoisotopic Mass428.11073
SMILESCOc1cc([C@H]2[C@@]3(O)C[C@H]4C[C@]2(O)[C@](O)(C(=O)O4)[C@H]3C(=O)c2ccccc2)oc(=O)c1
InChIInChI=1S/C22H20O9/c1-29-12-7-14(31-15(23)8-12)17-20(26)9-13-10-21(17,27)22(28,19(25)30-13)18(20)16(24)11-5-3-2-4-6-11/h2-8,13,17-18,26-28H,9-10H2,1H3/t13-,17-,18-,20-,21+,22+/m0/s1
InChIKeyUTKCEZMWSNDCMR-SAKMHLFVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (25895087)
ChEBI Ontology
Outgoing Relation(s)
5-deoxyenterocin (CHEBI:199740) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(1S,2S,3S,6S,8R,9S)-2-benzoyl-1,3,8-trihydroxy-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.03,8]decan-4-one
Manual XrefsDatabases
10223791ChemSpider