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-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
Accession: CHEBI:102374
browse the term
Definition: A furopyran that has formula C24H33N3O5.
Synonyms: related_synonym: Formula=C24H33N3O5; InChI=1S/C24H33N3O5/c1-26-7-9-27(10-8-26)22(29)13-17-12-19-18-11-16(25-24(30)15-3-2-4-15)5-6-20(18)32-23(19)21(14-28)31-17/h5-6,11,15,17,19,21,23,28H,2-4,7-10,12-14H2,1H3,(H,25,30)/t17-,19+,21-,23-/m1/s1; InChIKey=SOARVSRWKWCBLL-GUBFDYSESA-N; SMILES=CN1CCN(CC1)C(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCC5
xref: LINCS:LSM-13725
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
22192
chemical entity
22191
atom
22184
nonmetal atom
22069
oxygen atom
21425
oxygen molecular entity
21425
organooxygen compound
20824
oxacycle
18843
furopyran
75
N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
0
Path 2
CHEBI ontology
22192
subatomic particle
22184
composite particle
22184
hadron
22184
baryon
22184
nucleon
22184
atomic nucleus
22184
atom
22184
main group element atom
22118
p-block element atom
22118
carbon group element atom
21918
carbon atom
21844
organic molecular entity
21844
organic molecule
21660
organic cyclic compound
21266
organic heterocyclic compound
20339
organic heteropolycyclic compound
19634
organic heterobicyclic compound
18202
furopyran
75
N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
0