CHEBI:68224 - (7R,8R)-AGI-B4

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ChEBI Name (7R,8R)-AGI-B4
ChEBI ID CHEBI:68224
ChEBI ASCII Name (7R,8R)-AGI-B4
Definition A member of the class of xanthones that is methyl (1S)-2,9-dihydro-1H-xanthene-1-carboxylate substituted by hydroxy groups at positions 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
Download Molfile XML SDF
Formula C16H14O7
Net Charge 0
Average Mass 318.27820
Monoisotopic Mass 318.07395
InChI InChI=1S/C16H14O7/c1-22-16(21)13-8(18)2-3-10-14(13)15(20)12-9(19)4-7(6-17)5-11(12)23-10/h2-5,8,13,17-19H,6H2,1H3/t8-,13+/m1/s1
InChIKey MPAKYMOQGZITTQ-OQPBUACISA-N
SMILES COC(=O)[C@H]1[C@H](O)C=Cc2oc3cc(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
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
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 (7R,8R)-AGI-B4 (CHEBI:68224) has role Aspergillus metabolite (CHEBI:76956)
(7R,8R)-AGI-B4 (CHEBI:68224) has role antioxidant (CHEBI:22586)
(7R,8R)-AGI-B4 (CHEBI:68224) is a aromatic primary alcohol (CHEBI:33857)
(7R,8R)-AGI-B4 (CHEBI:68224) is a methyl ester (CHEBI:25248)
(7R,8R)-AGI-B4 (CHEBI:68224) is a phenols (CHEBI:33853)
(7R,8R)-AGI-B4 (CHEBI:68224) is a secondary alcohol (CHEBI:35681)
(7R,8R)-AGI-B4 (CHEBI:68224) is a xanthones (CHEBI:51149)
IUPAC Name
methyl (1R,2R)-2,8-dihydroxy-6-(hydroxymethyl)-9-oxo-2,9-dihydro-1H-xanthene-1-carboxylate
Registry Number Type Source
21708358 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12243460 PubMed citation Europe PMC
21718031 PubMed citation Europe PMC
Last Modified
03 March 2015