CHEBI ONTOLOGY - ANNOTATIONS
The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/ . The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/ ). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term: 2-[(3S,6aR,8S,10aR)-1-(2-fluorobenzoyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide
Accession: CHEBI:97559
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Definition: An organohalogen compound that has formula C25H27Cl2FN2O5.
Synonyms: related_synonym: Formula=C25H27Cl2FN2O5; InChI=1S/C25H27Cl2FN2O5/c26-19-7-5-15(9-20(19)27)11-29-24(32)10-17-6-8-22-23(35-17)14-34-13-16(31)12-30(22)25(33)18-3-1-2-4-21(18)28/h1-5,7,9,16-17,22-23,31H,6,8,10-14H2,(H,29,32)/t16-,17-,22+,23-/m0/s1; InChIKey=NLZWENHPOORBAO-ODYPEACGSA-N; SMILES=C1C[C@@H]2[C@H](COC[C@H](CN2C(=O)C3=CC=CC=C3F)O)O[C@@H]1CC(=O)NCC4=CC(=C(C=C4)Cl)Cl
xref: LINCS:LSM-8938
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
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chemical entity
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molecular entity
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polyatomic entity
19787
heteroatomic molecular entity
19743
halide
18635
organohalogen compound
18507
2-[(3S,6aR,8S,10aR)-1-(2-fluorobenzoyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide
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Path 2
CHEBI ontology
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subatomic particle
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composite particle
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hadron
19829
baryon
19829
nucleon
19829
atomic nucleus
19829
atom
19829
main group element atom
19779
p-block element atom
19779
carbon group element atom
19728
carbon atom
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organic molecular entity
19724
heteroorganic entity
19477
organochalcogen compound
19240
organooxygen compound
19155
carbonyl compound
18874
2-[(3S,6aR,8S,10aR)-1-(2-fluorobenzoyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide
0