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CHEBI:223748 - Carnemycin C

ChEBI IDCHEBI:223748
ChEBI NameCarnemycin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O9
Net Charge0
Average Mass438.473
Monoisotopic Mass438.18898
SMILESCC/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/C22H30O9/c1-3-4-5-6-7-8-9-12-10-13(24)16(18(26)15(12)22(29)30-2)21-20(28)19(27)17(25)14(11-23)31-21/h4-7,10,14,17,19-21,23-28H,3,8-9,11H2,1-2H3/b5-4+,7-6+/t14-,17-,19+,20-,21+/m1/s1
InChIKeyPAQSDCXYDCDVRC-PRCPIDCWSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (31012585)
ChEBI Ontology
Outgoing Relation(s)
Carnemycin C (CHEBI:223748) is a glycoside (CHEBI:24400)
IUPAC Name 
methyl 2,4-dihydroxy-6-[(3E,5E)-octa-3,5-dienyl]-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzoate
Manual XrefsDatabases
74832041ChemSpider