CHEBI:6949 - Miroestrol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Miroestrol
ChEBI ID CHEBI:6949
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H22O6
Net Charge 0
Average Mass 358.386
Monoisotopic Mass 358.14164
InChI InChI=1S/C20H22O6/c1-18(2)11-6-19(24)7-14(22)20(25,16(11)17(19)23)12-8-26-13-5-9(21)3-4-10(13)15(12)18/h3-5,8,11,15-17,21,23-25H,6-7H2,1-2H3/t11-,15+,16-,17+,19+,20-/m0/s1
InChIKey RJKLDOLOCIQYFS-PRTISISMSA-N
SMILES CC1(C)[C@@H]2C[C@]3(O)CC(=O)[C@](O)([C@@H]2[C@H]3O)C2=COc3cc(O)ccc3[C@@H]12
ChEBI Ontology
Outgoing Miroestrol (CHEBI:6949) is a organic heterotricyclic compound (CHEBI:26979)
Miroestrol (CHEBI:6949) is a organooxygen compound (CHEBI:36963)
Synonym Source
Miroestrol KEGG COMPOUND
Manual Xrefs Databases
C00003662 KNApSAcK
C08831 KEGG COMPOUND
View more database links
Registry Number Type Source
2618-41-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014