CHEBI:201204 - Asterriquinone SU-5503

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Asterriquinone SU-5503
ChEBI ID CHEBI:201204
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H30N2O6
Net Charge 0
Average Mass 550.611
Monoisotopic Mass 550.21039
InChI InChI=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)
InChIKey PIXWEIAVORPJGI-UHFFFAOYSA-N
SMILES O=C1C(O)=C(C(=O)C(=C1C=2C3=C(C(C(=O)O)=CC=C3)NC2CC=C(C)C)O)C=4C5=C(C=CC=C5)NC4CC=C(C)C
Metabolite of Species Details
Aspergillus candidus (NCBI:txid41067) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
78434686 ChemSpider
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