CHEBI:68222 - aspergillusone B

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ChEBI Name aspergillusone B
ChEBI ID CHEBI:68222
Definition A member of the class of xanthones that is methyl (1R)-2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate substituted by hydroxy groups at positions 1, 2 and 8, a hydroxymethyl group at position 6 and an oxo group at position 9. It has been isolated from the sea fan derived fungus Aspergillus sydowii.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H16O8
Net Charge 0
Average Mass 336.29340
Monoisotopic Mass 336.08452
InChI InChI=1S/C16H16O8/c1-23-15(21)16(22)11(19)3-2-9-13(16)14(20)12-8(18)4-7(6-17)5-10(12)24-9/h4-5,11,17-19,22H,2-3,6H2,1H3/t11-,16+/m1/s1
InChIKey JYINNDQRROYTKO-BZNIZROVSA-N
SMILES COC(=O)[C@]1(O)[C@H](O)CCc2oc3cc(CO)cc(O)c3c(=O)c12
Metabolite of Species Details
Aspergillus sydowii (NCBI:txid75750) Ethyl acetate extract of culture broth, fungus isolated from a sea fan, Annella sp. of strain PSU F154 See: PubMed
Roles Classification
Biological Role(s): Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
View more via ChEBI Ontology
ChEBI Ontology
Outgoing aspergillusone B (CHEBI:68222) has role Aspergillus metabolite (CHEBI:76956)
aspergillusone B (CHEBI:68222) is a aromatic primary alcohol (CHEBI:33857)
aspergillusone B (CHEBI:68222) is a methyl ester (CHEBI:25248)
aspergillusone B (CHEBI:68222) is a phenols (CHEBI:33853)
aspergillusone B (CHEBI:68222) is a secondary alcohol (CHEBI:35681)
aspergillusone B (CHEBI:68222) is a tertiary alcohol (CHEBI:26878)
aspergillusone B (CHEBI:68222) is a xanthones (CHEBI:51149)
IUPAC Name
rel-methyl (1R,2R)-1,2,8-trihydroxy-6-(hydroxymethyl)-9-oxo-2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate
Registry Number Type Source
21708359 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21718031 PubMed citation Europe PMC
Last Modified
06 March 2015