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CHEBI:199391 - Aestivophoenin B

ChEBI IDCHEBI:199391
ChEBI NameAestivophoenin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H40N2O7
Net Charge0
Average Mass612.723
Monoisotopic Mass612.28355
SMILESCC(C)=CCc1cc(C(=O)c2ccccc2)cc2c1Nc1c(C(=O)O[C@@H]3O[C@@H](C)C(O)C(O)C3O)cccc1N2CC=C(C)C
InChIInChI=1S/C36H40N2O7/c1-20(2)14-15-24-18-25(32(40)23-10-7-6-8-11-23)19-28-29(24)37-30-26(12-9-13-27(30)38(28)17-16-21(3)4)35(43)45-36-34(42)33(41)31(39)22(5)44-36/h6-14,16,18-19,22,31,33-34,36-37,39,41-42H,15,17H2,1-5H3/t22-,31?,33?,34?,36-/m0/s1
InChIKeyISXDPWVSFUTKTJ-AGYZWGANSA-N
Species of MetaboliteComponentSourceComments
Kitasatospora purpeofusca (ncbitaxon:67352) - PubMed (8557589)
ChEBI Ontology
Outgoing Relation(s)
Aestivophoenin B (CHEBI:199391) is a phenazines (CHEBI:39201)
IUPAC Name 
[(2S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] 7-benzoyl-5,9-bis(3-methylbut-2-enyl)-10H-phenazine-1-carboxylate
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