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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6-(9'-Purine-6',8'-diolyl)-2beta-suberosanone
ChEBI ID CHEBI:66791
Definition A natural product found in Subergorgia suberosa.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H26N4O3
Net Charge 0
Average Mass 370.44540
Monoisotopic Mass 370.20049
InChI InChI=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
InChIKey BHCRQXWMNOFEEK-OWPPUKJFSA-N
SMILES [H][C@@]12CC[C@H](C)[C@]3(CC1(C)C)[C@@H](Cn1c(O)nc4c(O)ncnc14)C(=O)C[C@]23[H]
Metabolite of Species Details
Subergorgia suberosa (NCBI:txid767284) See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(3S,3aS,4S,7S,7aR)-3-[(6,8-dihydroxy-9H-purin-9-yl)methyl]-4,8,8-trimethylhexahydro-3a,7-ethanoinden-2(3H)-one ChEBI
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-dione ChEBI
Citation Waiting for Citations Type Source
16124781 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:pyrimidines(CHEBI:39447); ISA:imidazoles(CHEBI:24780); ISA:cyclic ketone(CHEBI:3992); ISA:polyol(CHEBI:26191); ISA:organonitrogen compound(CHEBI:35352); ISA:aromatic alcohol(CHEBI:33854);