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CHEBI:7032 - Musca-aurin-II

ChEBI IDCHEBI:7032
ChEBI NameMusca-aurin-II
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H16N2O10
Net Charge0
Average Mass420.330
Monoisotopic Mass420.08049
SMILESO=C(O)C1=C/C(=C/C=N\[C@@H](Cc2cc(C(=O)O)oc(=O)c2)C(=O)O)C[C@@H](C(=O)O)N1
InChIInChI=1S/C18H16N2O10/c21-14-7-9(6-13(30-14)18(28)29)5-10(15(22)23)19-2-1-8-3-11(16(24)25)20-12(4-8)17(26)27/h1-3,6-7,10,12,20H,4-5H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)/b8-1-,19-2-/t10-,12-/m0/s1
InChIKeyXWXLDVGDOHFZSG-XLBCKWNQSA-N
ChEBI Ontology
Outgoing Relation(s)
Musca-aurin-II (CHEBI:7032) has functional parent tetracarboxylic acid (CHEBI:35742)
Musca-aurin-II (CHEBI:7032) is a organooxygen compound (CHEBI:36963)
Synonym  Source
Musca-aurin-IIKEGG COMPOUND
Manual XrefsDatabases
C08560KEGG COMPOUND
C00001600KNApSAcK
Registry NumbersSources
CAS:12624-17-8KEGG COMPOUND