EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:200266 - Frenolicin C

ChEBI IDCHEBI:200266
ChEBI NameFrenolicin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H27NO10S
Net Charge0
Average Mass509.533
Monoisotopic Mass509.13557
SMILESCCC[C@H]1O[C@H](CC(=O)O)C[C@]2(SC[C@H](NC(C)=O)C(=O)O)C(=O)c3cccc(O)c3C(=O)[C@@]12O
InChIInChI=1S/C23H27NO10S/c1-3-5-16-23(33)20(30)18-13(6-4-7-15(18)26)19(29)22(23,9-12(34-16)8-17(27)28)35-10-14(21(31)32)24-11(2)25/h4,6-7,12,14,16,26,33H,3,5,8-10H2,1-2H3,(H,24,25)(H,27,28)(H,31,32)/t12-,14+,16-,22+,23+/m1/s1
InChIKeyLBTDZXFVMNOCLO-BLKQOEIDSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies RM-4-15 (ncbitaxon:1337050) - PubMed (23944931)
ChEBI Ontology
Outgoing Relation(s)
Frenolicin C (CHEBI:200266) is a benzochromenone (CHEBI:64986)
Frenolicin C (CHEBI:200266) is a glycoside (CHEBI:24400)
IUPAC Name 
(2R)-3-[[(1R,3R,4aR,10aS)-3-(carboxymethyl)-9,10a-dihydroxy-5,10-dioxo-1-propyl-3,4-dihydro-1H-benzo[g]isochromen-4a-yl]sulanyl]-2-acetamidopropanoic acid
Manual XrefsDatabases
29784930ChemSpider