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CHEBI:209769 - Enterocin

ChEBI IDCHEBI:209769
ChEBI NameEnterocin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O10
Net Charge0
Average Mass444.392
Monoisotopic Mass444.10565
SMILESCOc1cc([C@H]2[C@@]3(O)[C@H](O)[C@H]4C[C@]2(O)[C@](O)(C(=O)O4)[C@H]3C(=O)c2ccccc2)oc(=O)c1
InChIInChI=1S/C22H20O10/c1-30-11-7-12(31-14(23)8-11)16-20(27)9-13-18(25)21(16,28)17(22(20,29)19(26)32-13)15(24)10-5-3-2-4-6-10/h2-8,13,16-18,25,27-29H,9H2,1H3/t13-,16-,17+,18-,20-,21+,22-/m1/s1
InChIKeyCTBBEXWJRAPJIZ-VHPBLNRZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (26768306)
ChEBI Ontology
Outgoing Relation(s)
Enterocin (CHEBI:209769) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(1S,2S,3S,6R,8R,9S,10R)-2-benzoyl-1,3,8,10-tetrahydroxy-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.03,8]decan-4-one
Manual XrefsDatabases
19978603ChemSpider