CHEBI:177647 - Rolofylline

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Rolofylline
ChEBI ID CHEBI:177647
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H28N4O2
Net Charge 0
Average Mass 356.470
Monoisotopic Mass 356.22123
InChI InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)
InChIKey PJBFVWGQFLYWCB-UHFFFAOYSA-N
SMILES O=C1N(C(=O)N(C=2N=C(NC21)C34C5CC(C3)CC(C4)C5)CCC)CCC
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in Sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing Rolofylline (CHEBI:177647) is a oxopurine (CHEBI:25810)
IUPAC Name
1,3-dipropyl-8-(3-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione
Manual Xrefs Databases
58188 ChemSpider
D08989 KEGG DRUG
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