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-[(2R,4aR,12aR)-8-[[(3-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
Accession: CHEBI:98635
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Definition: An organohalogen compound that has formula C24H25ClN2O6.
Synonyms: related_synonym: Formula=C24H25ClN2O6; InChI=1S/C24H25ClN2O6/c1-27-19-8-7-17(12-22(28)31-2)33-21(19)13-32-20-9-6-16(11-18(20)24(27)30)26-23(29)14-4-3-5-15(25)10-14/h3-6,9-11,17,19,21H,7-8,12-13H2,1-2H3,(H,26,29)/t17-,19-,21+/m1/s1; InChIKey=PZXWXIAUASIELU-QFUCXCTJSA-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)Cl)CC(=O)OC
xref: LINCS:LSM-10014
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
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heteroatomic molecular entity
19743
halide
18635
organohalogen compound
18507
2-[(2R,4aR,12aR)-8-[[(3-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
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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
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baryon
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nucleon
19829
atomic nucleus
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atom
19829
main group element atom
19779
p-block element atom
19779
carbon group element atom
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carbon atom
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organic molecular entity
19724
heteroorganic entity
19477
organochalcogen compound
19240
organooxygen compound
19155
carbonyl compound
18874
2-[(2R,4aR,12aR)-8-[[(3-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
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