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CHEBI:201204 - Asterriquinone SU-5503

ChEBI IDCHEBI:201204
ChEBI NameAsterriquinone SU-5503
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H30N2O6
Net Charge0
Average Mass550.611
Monoisotopic Mass550.21039
SMILESCC(C)=CCc1nc2ccccc2c1C1=C(O)C(=O)C(c2c(CC=C(C)C)nc3c(C(=O)O)cccc23)=C(O)C1=O
InChIInChI=1S/C33H30N2O6/c1-16(2)12-14-22-24(18-8-5-6-11-21(18)34-22)26-29(36)31(38)27(32(39)30(26)37)25-19-9-7-10-20(33(40)41)28(19)35-23(25)15-13-17(3)4/h5-13,34-36,39H,14-15H2,1-4H3,(H,40,41)
InChIKeyPIXWEIAVORPJGI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus candidus (ncbitaxon:41067) - PubMed (10348035)
ChEBI Ontology
Outgoing Relation(s)
Asterriquinone SU-5503 (CHEBI:201204) is a indoles (CHEBI:24828)
IUPAC Name 
3-[2,5-dihydroxy-4-[2-(3-methylbut-2-enyl)-1H-indol-3-yl]-3,6-dioxocyclohexa-1,4-dien-1-yl]-2-(3-methylbut-2-enyl)-1H-indole-7-carboxylic acid
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