CHEBI:199126 - Asterriquinone B1

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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 B1
ChEBI ID CHEBI:199126
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H34N2O4
Net Charge 0
Average Mass 534.656
Monoisotopic Mass 534.25186
InChI InChI=1S/C34H34N2O4/c1-8-34(4,5)33-25(22-13-9-10-15-24(22)36-33)27-30(38)31(39-6)26(29(37)32(27)40-7)23-18-35-28-20(17-16-19(2)3)12-11-14-21(23)28/h8-16,18,35-36H,1,17H2,2-7H3
InChIKey RTPUFVIDLSEXOV-UHFFFAOYSA-N
SMILES O=C1C(OC)=C(C(=O)C(=C1C=2C3=C(C=CC=C3)NC2C(C=C)(C)C)OC)C=4C5=C(C(=CC=C5)CC=C(C)C)NC4
Metabolite of Species Details
Aspergillus terreus (NCBI:txid33178) See: PubMed
ChEBI Ontology
Outgoing Asterriquinone B1 (CHEBI:199126) is a prenylquinone (CHEBI:26255)
IUPAC Name
2,5-dimethoxy-3-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]-6-[7-(3-methylbut-2-enyl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
Manual Xref Database
8004293 ChemSpider
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