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CHEBI:199232 - Aestivophoenin A

ChEBI IDCHEBI:199232
ChEBI NameAestivophoenin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H32N2O7
Net Charge0
Average Mass544.604
Monoisotopic Mass544.22095
SMILESCC(C)=CCN1c2cc(C(=O)c3ccccc3)ccc2Nc2c(C(=O)O[C@@H]3O[C@@H](C)C(O)C(O)C3O)cccc21
InChIInChI=1S/C31H32N2O7/c1-17(2)14-15-33-23-11-7-10-21(30(38)40-31-29(37)28(36)26(34)18(3)39-31)25(23)32-22-13-12-20(16-24(22)33)27(35)19-8-5-4-6-9-19/h4-14,16,18,26,28-29,31-32,34,36-37H,15H2,1-3H3/t18-,26?,28?,29?,31-/m0/s1
InChIKeyRUHDXYLYIPBNAE-FIOVPPJFSA-N
Species of MetaboliteComponentSourceComments
Kitasatospora purpeofusca (ncbitaxon:67352) - PubMed (8557589)
ChEBI Ontology
Outgoing Relation(s)
Aestivophoenin A (CHEBI:199232) is a phenazines (CHEBI:39201)
IUPAC Name 
[(2S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] 7-benzoyl-5-(3-methylbut-2-enyl)-10H-phenazine-1-carboxylate
Manual XrefsDatabases
78445034ChemSpider