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

ChEBI IDCHEBI:68224
ChEBI Name(7R,8R)-AGI-B4
Stars
ASCII Name(7R,8R)-AGI-B4
DefinitionA 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.
Last Modified3 March 2015
DownloadsMolfile
FormulaC16H14O7
Net Charge0
Average Mass318.281
Monoisotopic Mass318.07395
SMILESCOC(=O)[C@@H]1c2c(oc3cc(CO)cc(O)c3c2=O)C=C[C@H]1O
InChIInChI=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
InChIKeyMPAKYMOQGZITTQ-OQPBUACISA-N
Species of MetaboliteComponentSourceComments
Aspergillus sydowii (ncbitaxon:75750) - PubMed (21718031) Ethyl acetate extract of culture broth, fungus isolated from a sea fan, Annella sp. Strain: PSU F154
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
(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 NumbersSources
Reaxys:21708358Reaxys
Citations