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: N-[(2R,4aR,12aR)-2-[2-(dimethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-fluorobenzamide
Accession: CHEBI:99400
browse the term
Definition: An organohalogen compound that has formula C25H28FN3O5.
Synonyms: related_synonym: Formula=C25H28FN3O5; InChI=1S/C25H28FN3O5/c1-28(2)23(30)13-18-9-10-20-22(34-18)14-33-21-11-8-17(12-19(21)25(32)29(20)3)27-24(31)15-4-6-16(26)7-5-15/h4-8,11-12,18,20,22H,9-10,13-14H2,1-3H3,(H,27,31)/t18-,20-,22+/m1/s1; InChIKey=VIDGDBZXEWMIQL-UZKOGDIHSA-N; SMILES=CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)F)CC(=O)N(C)C
xref: LINCS:LSM-10779
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19811
chemical entity
19840
molecular entity
19809
polyatomic entity
19767
heteroatomic molecular entity
19723
halide
18642
organohalogen compound
18484
N-[(2R,4aR,12aR)-2-[2-(dimethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-fluorobenzamide
0
Path 2
CHEBI ontology
19811
subatomic particle
19809
composite particle
19809
hadron
19840
baryon
19809
nucleon
19809
atomic nucleus
19809
atom
19809
main group element atom
19759
p-block element atom
19759
carbon group element atom
19708
carbon atom
19734
organic molecular entity
19705
heteroorganic entity
19459
organochalcogen compound
19222
organooxygen compound
19137
carbonyl compound
18858
N-[(2R,4aR,12aR)-2-[2-(dimethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-fluorobenzamide
0