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CHEBI:4726 - Dynemicin A

ChEBI IDCHEBI:4726
ChEBI NameDynemicin A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC30H19NO9
Net Charge0
Average Mass537.480
Monoisotopic Mass537.10598
SMILES[H][C@@]12C#C/C=C\C#CC3Nc4c(cc(O)c5c4C(=O)c4c(O)ccc(O)c4C5=O)[C@]14O[C@@]34[C@@H](C)C(C(=O)O)=C2OC
InChIInChI=1S/C30H19NO9/c1-12-19(28(37)38)27(39-2)13-7-5-3-4-6-8-18-29(12)30(13,40-29)14-11-17(34)22-23(24(14)31-18)26(36)21-16(33)10-9-15(32)20(21)25(22)35/h3-4,9-13,18,31-34H,1-2H3,(H,37,38)/b4-3-/t12-,13-,18?,29-,30+/m0/s1
InChIKeyAFMYMMXSQGUCBK-CWSCUYGGSA-N
ChEBI Ontology
Outgoing Relation(s)
Dynemicin A (CHEBI:4726) is a anthraquinone (CHEBI:22580)
Synonym  Source
Dynemicin AKEGG COMPOUND
Manual XrefsDatabases
C11471KEGG COMPOUND
C00017528KNApSAcK
Registry NumbersSources
CAS:124412-57-3KEGG COMPOUND