CHEBI:200817 - Asterriquinone monoacetate

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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 monoacetate
ChEBI ID CHEBI:200817
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H32N2O5
Net Charge 0
Average Mass 548.639
Monoisotopic Mass 548.23112
InChI InChI=1S/C34H32N2O5/c1-8-33(4,5)35-18-23(21-14-10-12-16-25(21)35)27-29(38)30(39)28(32(31(27)40)41-20(3)37)24-19-36(34(6,7)9-2)26-17-13-11-15-22(24)26/h8-19,38H,1-2H2,3-7H3
InChIKey UGDNNEPDNMTIIF-UHFFFAOYSA-N
SMILES O=C1C(OC(=O)C)=C(C(=O)C(=C1C=2C3=C(C=CC=C3)N(C2)C(C=C)(C)C)O)C=4C5=C(C=CC=C5)N(C4)C(C=C)(C)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing Asterriquinone monoacetate (CHEBI:200817) is a indoles (CHEBI:24828)
IUPAC Name
[4-hydroxy-2,5-bis[1-(2-methylbut-3-en-2-yl)indol-3-yl]-3,6-dioxocyclohexa-1,4-dien-1-yl] acetate
Manual Xref Database
341544 ChemSpider
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