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CHEBI:223754 - Carnemycin D

ChEBI IDCHEBI:223754
ChEBI NameCarnemycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O9
Net Charge0
Average Mass424.446
Monoisotopic Mass424.17333
SMILESC/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/C21H28O9/c1-3-4-5-6-7-8-11-9-12(23)15(17(25)14(11)21(28)29-2)20-19(27)18(26)16(24)13(10-22)30-20/h3-6,9,13,16,18-20,22-27H,7-8,10H2,1-2H3/b4-3+,6-5+/t13-,16-,18+,19-,20+/m1/s1
InChIKeyMCNSWHLADXTFRI-DNSZZWQPSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (31012585)
ChEBI Ontology
Outgoing Relation(s)
Carnemycin D (CHEBI:223754) is a glycoside (CHEBI:24400)
IUPAC Name 
methyl 6-[(3E,5E)-hepta-3,5-dienyl]-2,4-dihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzoate
Manual XrefsDatabases
74832042ChemSpider