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loading...| Preferred Name |
17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid, gamma-lactone |
| ID |
http://purl.obolibrary.org/obo/CHEBI_79609 |
| charge |
0 |
| database_cross_reference |
KEGG:C15090 |
| formula |
C22H28O3 |
| has_obo_namespace |
chebi_ontology |
| id |
CHEBI:79609 |
| in_subset | |
| inchi |
InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h5,9,13,16-18H,3-4,6-8,10-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1 |
| inchikey |
XFDFDWJXWMKQGW-WNHSNXHDSA-N |
| label |
17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid, gamma-lactone |
| mass |
340.45590 |
| monoisotopicmass |
340.20384 |
| notation |
CHEBI:79609 |
| prefLabel |
17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid, gamma-lactone |
| smiles |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@]21CCC(=O)O1 |
| treeView | |
| subClassOf |
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