CHEBI:32143 - equilin sodium sulfate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name equilin sodium sulfate
ChEBI ID CHEBI:32143
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H19O5S.Na
Net Charge 0
Average Mass 370.397
Monoisotopic Mass 370.08509
InChI InChI=1S/C18H20O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,16+,18+;/m1./s1
InChIKey QTTMOCOWZLSYSV-QWAPEVOJSA-M
SMILES [Na+].C[C@]12CC[C@H]3C(=CCc4cc(OS([O-])(=O)=O)ccc34)[C@@H]1CCC2=O
ChEBI Ontology
Outgoing equilin sodium sulfate (CHEBI:32143) has functional parent equilin (CHEBI:42309)
equilin sodium sulfate (CHEBI:32143) is a steroid sulfate (CHEBI:16158)
Synonym Source
Sodium equilin sulfate KEGG COMPOUND
Manual Xref Database
C13416 KEGG COMPOUND
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Registry Number Type Source
16680-47-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014