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,4aS,12aS)-2-[2-(4-chloroanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methylpropanamide
Accession: CHEBI:131231
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Definition: An anilide that has formula C26H30ClN3O5.
Synonyms: related_synonym: Formula=C26H30ClN3O5; InChI=1S/C26H30ClN3O5/c1-15(2)25(32)29-18-8-11-22-20(12-18)26(33)30(3)21-10-9-19(35-23(21)14-34-22)13-24(31)28-17-6-4-16(27)5-7-17/h4-8,11-12,15,19,21,23H,9-10,13-14H2,1-3H3,(H,28,31)(H,29,32)/t19-,21+,23-/m1/s1; InChIKey=BJKJBDLJWILHTF-UNWVZKJWSA-N; SMILES=CC(C)C(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@H](CC[C@@H](O3)CC(=O)NC4=CC=C(C=C4)Cl)N(C2=O)C
xref: LINCS:LSM-14412
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
atom
19809
nonmetal atom
19747
nitrogen atom
18962
nitrogen molecular entity
18934
amide
17755
aromatic amide
8430
anilide
1104
N-[(2R,4aS,12aS)-2-[2-(4-chloroanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methylpropanamide
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
main group molecular entity
19759
s-block molecular entity
19628
hydrogen molecular entity
19614
hydrides
19087
inorganic hydride
18091
pnictogen hydride
18080
nitrogen hydride
17987
azane
17796
ammonia
17795
organic amino compound
17795
primary amino compound
9297
primary amine
6317
primary arylamine
3643
aniline
3481
anilide
1104
N-[(2R,4aS,12aS)-2-[2-(4-chloroanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methylpropanamide
0