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,4aR,12aR)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-fluorobenzamide
Accession: CHEBI:99177
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Definition: An organohalogen compound that has formula C31H30FN3O7.
Synonyms: related_synonym: Formula=C31H30FN3O7; InChI=1S/C31H30FN3O7/c1-35-24-9-8-20(14-29(36)33-15-18-6-10-26-27(12-18)41-17-40-26)42-28(24)16-39-25-11-7-19(13-22(25)31(35)38)34-30(37)21-4-2-3-5-23(21)32/h2-7,10-13,20,24,28H,8-9,14-17H2,1H3,(H,33,36)(H,34,37)/t20-,24-,28+/m1/s1; InChIKey=GPWYEVCXUJXIOI-GDRRSRKRSA-N; SMILES=CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4F)CC(=O)NCC5=CC6=C(C=C5)OCO6
xref: LINCS:LSM-10556
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
19840
molecular entity
19809
polyatomic entity
19767
heteroatomic molecular entity
19723
halide
18642
organohalogen compound
18484
N-[(2R,4aR,12aR)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-fluorobenzamide
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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
p-block element atom
19759
carbon group element atom
19708
carbon atom
19734
organic molecular entity
19705
heteroorganic entity
19459
organochalcogen compound
19222
organooxygen compound
19137
carbonyl compound
18858
N-[(2R,4aR,12aR)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-fluorobenzamide
0