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,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
Accession: CHEBI:99130
browse the term
Definition: A furopyran that has formula C27H32N2O6.
Synonyms: related_synonym: Formula=C27H32N2O6; InChI=1S/C27H32N2O6/c1-33-19-8-5-16(6-9-19)14-28-25(31)13-20-12-22-21-11-18(29-27(32)17-3-2-4-17)7-10-23(21)35-26(22)24(15-30)34-20/h5-11,17,20,22,24,26,30H,2-4,12-15H2,1H3,(H,28,31)(H,29,32)/t20-,22-,24-,26+/m1/s1; InChIKey=QQFSWHWRRZLIPD-DFICYWPVSA-N; SMILES=COC1=CC=C(C=C1)CNC(=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-10509
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
22178
chemical entity
22208
molecular entity
22169
polyatomic entity
22072
molecule
21699
cyclic compound
21253
homocyclic compound
19682
carbocyclic compound
19682
cyclobutanes
124
N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
0
Path 2
CHEBI ontology
22178
subatomic particle
22170
composite particle
22170
hadron
22201
baryon
22170
nucleon
22170
atomic nucleus
22170
atom
22170
main group element atom
22104
p-block element atom
22104
carbon group element atom
21904
carbon atom
21859
organic molecular entity
21830
organic molecule
21647
organic cyclic compound
21252
organic heterocyclic compound
20352
organic heteropolycyclic compound
19645
organic heterobicyclic compound
18203
furopyran
75
N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
0