EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:221342 - Dynemicin Q

ChEBI IDCHEBI:221342
ChEBI NameDynemicin Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H19NO9
Net Charge0
Average Mass513.458
Monoisotopic Mass513.10598
SMILESCC1=C(O)C(=O)[C@H]2c3ccccc3[C@@H]3Nc4c(cc(O)c5c4C(=O)c4c(O)ccc(O)c4C5=O)[C@@]2(O)[C@]13O
InChIInChI=1S/C28H19NO9/c1-9-22(33)25(36)20-10-4-2-3-5-11(10)26-27(9,37)28(20,38)12-8-15(32)18-19(21(12)29-26)24(35)17-14(31)7-6-13(30)16(17)23(18)34/h2-8,20,26,29-33,37-38H,1H3/t20-,26+,27+,28+/m1/s1
InChIKeyCUJOMOBZUHNQJD-DLMOMKDTSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (1955384)
ChEBI Ontology
Outgoing Relation(s)
Dynemicin Q (CHEBI:221342) is a anthraquinone (CHEBI:22580)
IUPAC Name 
(2R,3S,7S,14S)-2,3,5,20,23,27-hexahydroxy-4-methyl-15-azaheptacyclo[14.12.0.02,7.03,14.08,13.017,26.019,24]octacosa-1(28),4,8,10,12,16,19,21,23,26-decaene-6,18,25-trione
Manual XrefsDatabases
78442915ChemSpider