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CHEBI:68713 - globosuxanthone B

ChEBI IDCHEBI:68713
ChEBI Nameglobosuxanthone B
Stars
DefinitionA member of the class of xanthones that is methyl-9-oxo-2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate substituted by hydroxy groups at positions 1, 2 and 8 and a methoxy group at position 3 (the 1R,2R,3S stereoisomer). It has been isolated from Chaetomium globosum.
Last Modified16 March 2015
DownloadsMolfile
FormulaC16H16O8
Net Charge0
Average Mass336.296
Monoisotopic Mass336.08452
SMILESCOC(=O)[C@@]1(O)c2c(oc3cccc(O)c3c2=O)C[C@H](OC)[C@H]1O
InChIInChI=1S/C16H16O8/c1-22-10-6-9-12(16(21,14(10)19)15(20)23-2)13(18)11-7(17)4-3-5-8(11)24-9/h3-5,10,14,17,19,21H,6H2,1-2H3/t10-,14+,16+/m0/s1
InChIKeyDKCFLWCWQILBFZ-DRZCJDIDSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - PubMed (16904330)
Roles Classification
Biological Role:
Chaetomium metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Chaetomium.
ChEBI Ontology
Outgoing Relation(s)
globosuxanthone B (CHEBI:68713) has role Chaetomium metabolite (CHEBI:76960)
globosuxanthone B (CHEBI:68713) is a ether (CHEBI:25698)
globosuxanthone B (CHEBI:68713) is a methyl ester (CHEBI:25248)
globosuxanthone B (CHEBI:68713) is a phenols (CHEBI:33853)
globosuxanthone B (CHEBI:68713) is a xanthones (CHEBI:51149)
IUPAC Name 
rel-methyl (1R,2R,3S)-1,2,8-trihydroxy-3-methoxy-9-oxo-2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate
Synonym  Source
1R*,2R*,8-trihydroxy-3S*-methoxy-1,2,3,4-tetrahydroxanthenone-1-carboxylic acid esterChEBI
Registry NumbersSources
Reaxys:10589697Reaxys
Citations