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: (6Ar,9S,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
Accession: CHEBI:182802
browse the term
Synonyms: exact_synonym: (6aR,9S,10aR)-9-(methylsulanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-g]quinoline;methanesulonic acid; methanesulfonic acid
related_synonym: Formula=C19H26N2S.CH4O3S; InChI=1S/C19H26N2S.CH4O3S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21;1-5(2,3)4/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3;1H3,(H,2,3,4)/t13-,16+,18+;/m0./s1; InChIKey=UWCVGPLTGZWHGS-UWQWILQWSA-N; SMILES=S(C[C@H]1C[C@]2([C@](N(C1)CCC)(CC=3C4=C2C=CC=C4NC3)[H])[H])C.S(O)(=O)(=O)C
xref: Chemspider:29315007
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19848
chemical entity
19846
atom
19846
nonmetal atom
19784
nitrogen atom
18965
nitrogen molecular entity
18965
organonitrogen compound
18816
organonitrogen heterocyclic compound
18155
(6Ar,9S,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
0
Path 2
CHEBI ontology
19848
subatomic particle
19846
composite particle
19846
hadron
19846
baryon
19846
nucleon
19846
atomic nucleus
19846
atom
19846
main group element atom
19796
p-block element atom
19796
carbon group element atom
19741
carbon atom
19737
organic molecular entity
19737
organic molecule
19690
organic cyclic compound
19501
organic heterocyclic compound
18878
organic heteropolycyclic compound
18301
organic heterotetracyclic compound
9217
(6Ar,9S,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
0