EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H24N2O3 |
| Net Charge | 0 |
| Average Mass | 316.401 |
| Monoisotopic Mass | 316.17869 |
| SMILES | [H][C@@]12CC[C@@]([H])(C1)[C@@H](Oc1cc(C3CNC(=O)NC3)ccc1OC)C2 |
| InChI | InChI=1S/C18H24N2O3/c1-22-15-5-4-12(14-9-19-18(21)20-10-14)8-17(15)23-16-7-11-2-3-13(16)6-11/h4-5,8,11,13-14,16H,2-3,6-7,9-10H2,1H3,(H2,19,20,21)/t11-,13+,16+/m1/s1 |
| InChIKey | LITNEAPWQHVPOK-FFSVYQOJSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | small intestine (BTO:0000651) | MetaboLights (MTBLS3486) | Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424] |
| Nippostrongylus brasiliensis (ncbitaxon:27835) | Whole Organism (NCIT:C13413) | MetaboLights (MTBLS3486) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2(1h)-pyrimidinone, 5-[3-[(1s,2s,4r)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl]tetrahydro- (CHEBI:183985) is a monoterpenoid (CHEBI:25409) |
| IUPAC Name |
|---|
| 5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one |