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CHEBI:230825 - 2-Methoxyestriol

ChEBI IDCHEBI:230825
ChEBI Name2-Methoxyestriol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O4
Net Charge0
Average Mass318.413
Monoisotopic Mass318.18311
SMILESCOc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@H](O)C[C@@H]12
InChIInChI=1S/C19H26O4/c1-19-6-5-11-12(14(19)9-16(21)18(19)22)4-3-10-7-15(20)17(23-2)8-13(10)11/h7-8,11-12,14,16,18,20-22H,3-6,9H2,1-2H3/t11-,12+,14-,16+,18-,19-/m0/s1
InChIKeyPEXPJFWTSZLEAQ-YSYMNNNUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
2-Methoxyestriol (CHEBI:230825) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
(8R,9S,13S,14S,16R,17R)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
Manual XrefsDatabases
92169ChemSpider