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Neuroscience Information Framework (NIF) Standard Ontology
Last uploaded:
February 10, 2018
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| Preferred Name | flunisolide | |
| Synonyms |
flunisolide flunisolida Flunisolide anhydrous flunisolidum Flunisolide 6alpha-fluoro-11beta,21-dihydroxy-16alpha,17alpha-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_5106 |
|
| alternative label |
flunisolide flunisolida Flunisolide anhydrous flunisolidum Flunisolide 6alpha-fluoro-11beta,21-dihydroxy-16alpha,17alpha-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione
|
|
| charge |
0
|
|
| database_cross_reference |
CAS:3385-03-3 Drug_Central:1201 Wikipedia:Flunisolide DrugBank:DB00180 KEGG:C07005 Patent:GB933867 Patent:US3126375 Patent:US3124571
|
|
| formula |
C24H31FO6
|
|
| has characteristic |
http://purl.obolibrary.org/obo/CHEBI_35705 |
|
| has exact synonym |
Flunisolide 6alpha-fluoro-11beta,21-dihydroxy-16alpha,17alpha-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35705 |
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
flunisolide flunisolida Flunisolide anhydrous flunisolidum
|
|
| id |
CHEBI:5106
|
|
| in_subset | ||
| inchi |
InChI=1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1
|
|
| inchikey |
XSFJVAJPIHIPKU-XWCQMRHXSA-N
|
|
| label |
flunisolide
|
|
| mass |
434.49770
|
|
| monoisotopicmass |
434.21047
|
|
| notation |
CHEBI:5106
|
|
| preferred label |
flunisolide
|
|
| prefLabel |
flunisolide
|
|
| smiles |
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO
|
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_139590 http://purl.obolibrary.org/obo/CHEBI_36885 http://purl.obolibrary.org/obo/CHEBI_77166 http://purl.obolibrary.org/obo/CHEBI_50830 http://purl.obolibrary.org/obo/CHEBI_59779 |
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