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CHEBI:66791 - 6-(9'-Purine-6',8'-diolyl)-2beta-suberosanone

ChEBI IDCHEBI:66791
ChEBI Name6-(9'-Purine-6',8'-diolyl)-2beta-suberosanone
Stars
DefinitionA natural product found in Subergorgia suberosa.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H26N4O3
Net Charge0
Average Mass370.453
Monoisotopic Mass370.20049
SMILES[H][C@]12CC(=O)[C@H](Cn3c(O)nc4c(O)ncnc43)[C@]13CC(C)(C)[C@@]2([H])CC[C@@H]3C
InChIInChI=1S/C20H26N4O3/c1-10-4-5-11-12-6-14(25)13(20(10,12)8-19(11,2)3)7-24-16-15(23-18(24)27)17(26)22-9-21-16/h9-13H,4-8H2,1-3H3,(H,23,27)(H,21,22,26)/t10-,11-,12+,13-,20-/m0/s1
InChIKeyBHCRQXWMNOFEEK-OWPPUKJFSA-N
Species of MetaboliteComponentSourceComments
Subergorgia suberosa (ncbitaxon:767284) - PubMed (16124781)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
6-(9'-Purine-6',8'-diolyl)-2beta-suberosanone (CHEBI:66791) has role metabolite (CHEBI:25212)
6-(9'-Purine-6',8'-diolyl)-2beta-suberosanone (CHEBI:66791) is a oxopurine (CHEBI:25810)
Synonyms  Source
(3S,3aS,4S,7S,7aR)-3-[(6,8-dihydroxy-9H-purin-9-yl)methyl]-4,8,8-trimethylhexahydro-3a,7-ethanoinden-2(3H)-oneChEBI
9-{[(1S,2S,5R,6S,9S)-9,11,11-Trimethyl-3-oxotricyclo[4.3.2.01,5]undec-2-yl]methyl}-7,9-dihydro-3H-purine-6,8-dioneChEBI
Citations