CHEBI:202483 - Aspergilol B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Aspergilol B
ChEBI ID CHEBI:202483
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H32O9
Net Charge 0
Average Mass 584.621
Monoisotopic Mass 584.20463
InChI InChI=1S/C34H32O9/c1-4-5-6-7-22(28-17(3)10-19(36)12-25(28)37)29-27(39)15-24-31(33(29)41)34(42)30-23(32(24)40)13-21(14-26(30)38)43-20-9-16(2)8-18(35)11-20/h8-15,22,35-39,41H,4-7H2,1-3H3/t22-/m0/s1
InChIKey XCDDUYKMEGUGBT-QFIPXVFZSA-N
SMILES O=C1C2=C(O)C(=C(O)C=C2C(=O)C=3C1=C(O)C=C(OC4=CC(O)=CC(=C4)C)C3)[C@H](C5=C(O)C=C(O)C=C5C)CCCCC
Metabolite of Species Details
Aspergillus versicolor (NCBI:txid46472) See: DOI
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing Aspergilol B (CHEBI:202483) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name
2-[(1S)-1-(2,4-dihydroxy-6-methylphenyl)hexyl]-1,3,8-trihydroxy-6-(3-hydroxy-5-methylphenoxy)anthracene-9,10-dione
Manual Xref Database
58196428 ChemSpider
View more database links