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,4aS,12aR)-2-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-methoxybenzamide
Accession: CHEBI:99914
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Definition: A benzamide that has formula C28H33N3O6.
Synonyms: related_synonym: Formula=C28H33N3O6; InChI=1S/C28H33N3O6/c1-31-23-11-10-21(14-26(32)29-15-17-3-4-17)37-25(23)16-36-24-12-7-19(13-22(24)28(31)34)30-27(33)18-5-8-20(35-2)9-6-18/h5-9,12-13,17,21,23,25H,3-4,10-11,14-16H2,1-2H3,(H,29,32)(H,30,33)/t21-,23-,25-/m0/s1; InChIKey=IGRBOWQNYYEHHT-RSEQLOHWSA-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)OC)CC(=O)NCC5CC5
xref: LINCS:LSM-11293
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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atom
19829
nonmetal atom
19767
nitrogen atom
18955
nitrogen molecular entity
18955
amide
17785
aromatic amide
8433
arenecarboxamide
8248
benzamides
8248
N-[(2S,4aS,12aR)-2-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-methoxybenzamide
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Path 2
CHEBI ontology
19831
subatomic particle
19829
composite particle
19829
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
19724
organic molecular entity
19724
heteroorganic entity
19477
organochalcogen compound
19240
organooxygen compound
19155
carbon oxoacid
18613
carboxylic acid
18610
carboacyl group
17699
univalent carboacyl group
17699
carbamoyl group
17549
carboxamide
17549
monocarboxylic acid amide
15680
arenecarboxamide
8248
benzamides
8248
N-[(2S,4aS,12aR)-2-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-methoxybenzamide
0