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CHEBI:7033 - Muscapurpurin

ChEBI IDCHEBI:7033
ChEBI NameMuscapurpurin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H14N2O10
Net Charge0
Average Mass418.314
Monoisotopic Mass418.06484
SMILESO=C(O)C1=C/C(=C/C=[N+]2/c3c(cc(C(=O)O)oc3=O)C[C@H]2C(=O)[O-])C[C@@H](C(=O)O)N1
InChIInChI=1S/C18H14N2O10/c21-14(22)9-3-7(4-10(19-9)15(23)24)1-2-20-11(16(25)26)5-8-6-12(17(27)28)30-18(29)13(8)20/h1-3,6,10-11H,4-5H2,(H4,21,22,23,24,25,26,27,28)/t10-,11-/m0/s1
InChIKeyKAUZSNIDLZSFSR-QWRGUYRKSA-N
ChEBI Ontology
Outgoing Relation(s)
Muscapurpurin (CHEBI:7033) has functional parent tetracarboxylic acid (CHEBI:35742)
Muscapurpurin (CHEBI:7033) is a organooxygen compound (CHEBI:36963)
Synonym  Source
MuscapurpurinKEGG COMPOUND
Manual XrefsDatabases
C08563KEGG COMPOUND
C00001602KNApSAcK
Registry NumbersSources
CAS:12624-19-0KEGG COMPOUND