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-[(2S,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide
Accession: CHEBI:98420
browse the term
Definition: A benzamide that has formula C26H28F3N3O6.
Synonyms: related_synonym: Formula=C26H28F3N3O6; InChI=1S/C26H28F3N3O6/c1-32-20-8-7-18(12-23(33)30-14-26(27,28)29)38-22(20)13-37-21-9-6-16(11-19(21)25(32)35)31-24(34)15-4-3-5-17(10-15)36-2/h3-6,9-11,18,20,22H,7-8,12-14H2,1-2H3,(H,30,33)(H,31,34)/t18-,20+,22-/m0/s1; InChIKey=RKECGHSSKXUWCJ-DWLFOUALSA-N; SMILES=CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)CC(=O)NCC(F)(F)F
xref: LINCS:LSM-9799
GViewer not supported for the selected species.
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
0
chemical entity
0
atom
0
nonmetal atom
0
nitrogen atom
0
nitrogen molecular entity
0
amide
0
aromatic amide
0
arenecarboxamide
0
benzamides
0
N-[(2S,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide
0
Path 2
CHEBI ontology
0
subatomic particle
0
composite particle
0
hadron
0
baryon
0
nucleon
0
atomic nucleus
0
atom
0
main group element atom
0
p-block element atom
0
carbon group element atom
0
carbon atom
0
organic molecular entity
0
heteroorganic entity
0
organochalcogen compound
0
organooxygen compound
0
carbon oxoacid
0
carboxylic acid
0
carboacyl group
0
univalent carboacyl group
0
carbamoyl group
0
carboxamide
0
monocarboxylic acid amide
0
arenecarboxamide
0
benzamides
0
N-[(2S,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide
0