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-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
Accession: CHEBI:97651
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Definition: A furopyran that has formula C24H23F3N2O7.
Synonyms: related_synonym: Formula=C24H23F3N2O7; InChI=1S/C24H23F3N2O7/c25-24(26,27)10-28-21(31)8-14-7-16-15-6-13(2-4-17(15)36-22(16)20(9-30)35-14)29-23(32)12-1-3-18-19(5-12)34-11-33-18/h1-6,14,16,20,22,30H,7-11H2,(H,28,31)(H,29,32)/t14-,16-,20+,22+/m1/s1; InChIKey=IXBLMXNUAYKSQM-ZTVUFDKISA-N; SMILES=C1[C@@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC(F)(F)F
xref: LINCS:LSM-9030
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19831
chemical entity
19829
atom
19829
nonmetal atom
19767
oxygen atom
19509
oxygen molecular entity
19509
organooxygen compound
19155
oxacycle
17838
furopyran
74
N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
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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
organic molecule
19677
organic cyclic compound
19490
organic heterocyclic compound
18852
organic heteropolycyclic compound
18295
organic heterobicyclic compound
17240
furopyran
74
N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
0