CHEBI:81554 - Deoxymiroestrol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Deoxymiroestrol
ChEBI ID CHEBI:81554
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H22O5
Net Charge 0
Average Mass 342.38570
Monoisotopic Mass 342.14672
InChI InChI=1S/C20H22O5/c1-19(2)12-6-20(24)7-13(22)15(16(12)18(20)23)11-8-25-14-5-9(21)3-4-10(14)17(11)19/h3-5,8,12,15-18,21,23-24H,6-7H2,1-2H3/t12-,15+,16+,17+,18+,20+/m0/s1
InChIKey AZKZPXFWTQSDET-ZMNKABNMSA-N
SMILES CC1(C)[C@@H]2C[C@]3(O)CC(=O)[C@H]([C@@H]2[C@H]3O)C2=COc3cc(O)ccc3[C@@H]12
ChEBI Ontology
Outgoing Deoxymiroestrol (CHEBI:81554) is a organic heterotricyclic compound (CHEBI:26979)
Deoxymiroestrol (CHEBI:81554) is a organooxygen compound (CHEBI:36963)
Manual Xref Database
C18164 KEGG COMPOUND
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