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,4aS,12aR)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide
Accession: CHEBI:102935
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Definition: An aromatic ether that has formula C27H34N4O5.
Synonyms: related_synonym: Formula=C27H34N4O5; InChI=1S/C27H34N4O5/c1-4-28-27(34)30-19-10-13-23-21(14-19)26(33)31(3)22-12-11-20(36-24(22)16-35-23)15-25(32)29-17(2)18-8-6-5-7-9-18/h5-10,13-14,17,20,22,24H,4,11-12,15-16H2,1-3H3,(H,29,32)(H2,28,30,34)/t17-,20+,22-,24-/m0/s1; InChIKey=YBRLGVDHYMUGPQ-ZDUIBRFZSA-N; SMILES=CCNC(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@H](CC[C@@H](O3)CC(=O)N[C@@H](C)C4=CC=CC=C4)N(C2=O)C
xref: LINCS:LSM-14281
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Path 1
CHEBI ontology
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chemical entity
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group
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polyatomic entity
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molecule
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organic molecule
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organic cyclic compound
19490
organic aromatic compound
19359
aromatic ether
16523
2-[(2R,4aS,12aR)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide
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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
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atomic nucleus
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atom
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main group element atom
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main group molecular entity
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p-block molecular entity
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carbon group molecular entity
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organic molecular entity
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heteroorganic entity
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organochalcogen compound
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organooxygen compound
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ether
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aromatic ether
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2-[(2R,4aS,12aR)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide
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