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CHEBI:68225 - (7R,8R)-α-diversonolic ester

ChEBI IDCHEBI:68225
ChEBI Name(7R,8R)-α-diversonolic ester
Stars
ASCII Name(7R,8R)-alpha-diversonolic ester
DefinitionA member of the class of xanthones that is methyl 2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate substituted by hydroxy groups at positions 1, 2 and 8, a methyl group at position 6 and an oxo group at position 9 (the 1R,2R stereoisomer). It has been isolated from the sea fan derived fungus Aspergillus sydowii.
Last Modified3 March 2015
DownloadsMolfile
FormulaC16H16O7
Net Charge0
Average Mass320.297
Monoisotopic Mass320.08960
SMILESCOC(=O)[C@@]1(O)c2c(oc3cc(C)cc(O)c3c2=O)CC[C@H]1O
InChIInChI=1S/C16H16O7/c1-7-5-8(17)12-10(6-7)23-9-3-4-11(18)16(21,15(20)22-2)13(9)14(12)19/h5-6,11,17-18,21H,3-4H2,1-2H3/t11-,16+/m1/s1
InChIKeyYZMBEUQMDLBCDY-BZNIZROVSA-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
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
(7R,8R)-α-diversonolic ester (CHEBI:68225) has role Aspergillus metabolite (CHEBI:76956)
(7R,8R)-α-diversonolic ester (CHEBI:68225) is a methyl ester (CHEBI:25248)
(7R,8R)-α-diversonolic ester (CHEBI:68225) is a phenols (CHEBI:33853)
(7R,8R)-α-diversonolic ester (CHEBI:68225) is a secondary alcohol (CHEBI:35681)
(7R,8R)-α-diversonolic ester (CHEBI:68225) is a tertiary alcohol (CHEBI:26878)
(7R,8R)-α-diversonolic ester (CHEBI:68225) is a xanthones (CHEBI:51149)
IUPAC Name 
methyl (1R,2R)-1,2,8-trihydroxy-6-methyl-9-oxo-2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate
Registry NumbersSources
Reaxys:18855374Reaxys
Citations