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-[(3R,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
Accession: CHEBI:101387
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Definition: An isoquinoline that has formula C20H28N2O4.
Synonyms: related_synonym: Formula=C20H28N2O4; InChI=1S/C20H28N2O4/c23-16-10-21-18-6-5-17(26-19(18)13-25-12-16)9-20(24)22-8-7-14-3-1-2-4-15(14)11-22/h1-4,16-19,21,23H,5-13H2/t16-,17+,18-,19+/m1/s1; InChIKey=MNYFKSZVIZZWBR-HCXYKTFWSA-N; SMILES=C1C[C@@H]2[C@H](COC[C@@H](CN2)O)O[C@@H]1CC(=O)N3CCC4=CC=CC=C4C3
xref: LINCS:LSM-12750
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19811
chemical entity
19840
atom
19809
nonmetal atom
19747
nitrogen atom
18962
nitrogen molecular entity
18934
organonitrogen compound
18783
organonitrogen heterocyclic compound
18154
isoquinolines
527
2-[(3R,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
0
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
organic molecule
19658
organic cyclic compound
19471
organic heterocyclic compound
18862
organonitrogen heterocyclic compound
18154
isoquinolines
527
2-[(3R,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
0