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-[oxo(3-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
Accession: CHEBI:129353
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Definition: An indane that has formula C26H31N3O5.
Synonyms: related_synonym: Formula=C26H31N3O5; InChI=1S/C26H31N3O5/c30-21-14-29(26(32)19-6-3-9-27-13-19)23-8-7-22(34-24(23)16-33-15-21)12-25(31)28-20-10-17-4-1-2-5-18(17)11-20/h1-6,9,13,20-24,30H,7-8,10-12,14-16H2,(H,28,31)/t21-,22+,23-,24+/m1/s1; InChIKey=NQTUMADNUVHZQX-QPXUXIHVSA-N; SMILES=C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)C3=CN=CC=C3)O)O[C@@H]1CC(=O)NC4CC5=CC=CC=C5C4
xref: LINCS:LSM-40904
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
19809
polyatomic entity
19767
molecule
19702
cyclic compound
19489
bicyclic compound
17275
carbobicyclic compound
5871
indanes
89
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(3-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
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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 group molecular entity
19708
organic molecular entity
19705
organic molecule
19658
organic cyclic compound
19471
carbocyclic compound
18563
carbopolycyclic compound
17167
carbobicyclic compound
5871
indanes
89
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(3-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
0