EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223764 - (10E,12Z)-Carnemycin B

ChEBI IDCHEBI:223764
ChEBI Name(10E,12Z)-Carnemycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H32O9
Net Charge0
Average Mass452.500
Monoisotopic Mass452.20463
SMILESCCC/C=C\C=C\CCc1cc(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1C(=O)OC
InChIInChI=1S/C23H32O9/c1-3-4-5-6-7-8-9-10-13-11-14(25)17(19(27)16(13)23(30)31-2)22-21(29)20(28)18(26)15(12-24)32-22/h5-8,11,15,18,20-22,24-29H,3-4,9-10,12H2,1-2H3/b6-5-,8-7+/t15-,18-,20+,21-,22+/m1/s1
InChIKeyGNMYZMZOACOUID-RNDRUXQOSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (31012585)
ChEBI Ontology
Outgoing Relation(s)
(10E,12Z)-Carnemycin B (CHEBI:223764) is a glycoside (CHEBI:24400)
IUPAC Name 
methyl 2,4-dihydroxy-6-[(3E,5Z)-nona-3,5-dienyl]-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzoate
Manual XrefsDatabases
74832044ChemSpider