CHEBI:217147 - (1'S)-6-O-methyl-7-bromoaverantin

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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 (1'S)-6-O-methyl-7-bromoaverantin
ChEBI ID CHEBI:217147
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H21BrO7
Net Charge 0
Average Mass 465.296
Monoisotopic Mass 464.04707
InChI InChI=1S/C21H21BrO7/c1-3-4-5-6-11(23)16-12(24)7-9-14(20(16)27)19(26)15-10(18(9)25)8-13(29-2)17(22)21(15)28/h7-8,11,23-24,27-28H,3-6H2,1-2H3/t11-/m0/s1
InChIKey RHHQHEIDMUXSJH-NSHDSACASA-N
SMILES BrC1=C(O)C=2C(=O)C3=C(O)C(=C(O)C=C3C(C2C=C1OC)=O)[C@@H](O)CCCCC
Metabolite of Species Details
Aspergillusspecies SCSIO F063 (NCBI:txid1166486) See: PubMed
ChEBI Ontology
Outgoing (1'S)-6-O-methyl-7-bromoaverantin (CHEBI:217147) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name
2-bromo-1,6,8-trihydroxy-7-[(1S)-1-hydroxyhexyl]-3-methoxyanthracene-9,10-dione
Manual Xref Database
28515041 ChemSpider
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