CHEBI:129995 - (6S,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6S,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
ChEBI ID CHEBI:129995
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H22N2O2
Net Charge 0
Average Mass 298.380
Monoisotopic Mass 298.16813
InChI InChI=1S/C18H22N2O2/c21-11-16-18(15-9-19-10-17(22)20(15)16)14-7-5-13(6-8-14)12-3-1-2-4-12/h3,5-8,15-16,18-19,21H,1-2,4,9-11H2/t15-,16+,18-/m1/s1
InChIKey BAFUBLVGEUEBCN-SOLBZPMBSA-N
SMILES C1CC=C(C1)C2=CC=C(C=C2)[C@@H]3[C@H]4CNCC(=O)N4[C@H]3CO
ChEBI Ontology
Outgoing (6S,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129995) is a azetidines (CHEBI:38777)
(6S,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129995) is a benzenes (CHEBI:22712)
(6S,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129995) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-41546 LINCS
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