CHEBI:137965 - 4-methoxyestrone 3-O-(β-D-glucuronide)

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ChEBI Name 4-methoxyestrone 3-O-(β-D-glucuronide) ChEBI ID CHEBI:137965 ChEBI ASCII Name 4-methoxyestrone 3-O-(beta-D-glucuronide) Definition A steroid glucosiduronic acid that is 2-methoxyestrone having a β-D-glucuronic acid residue attached at position 3. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H32O9 Net Charge 0 Average Mass 476.517 Monoisotopic Mass 476.20463 InChI InChI=1S/C25H32O9/c1-25-10-9-12-11-5-7-16(33-24-20(29)18(27)19(28)22(34-24)23(30)31)21(32-2)14(11)4-3-13(12)15(25)6-8-17(25)26/h5,7,12-13,15,18-20,22,24,27-29H,3-4,6,8-10H2,1-2H3,(H,30,31)/t12-,13-,15+,18+,19+,20-,22+,24-,25+/m1/s1 InChIKey ULHTYWWLVUWDHV-RQKNUILLSA-N SMILES C1[C@]2([C@]3([C@@](C4=C(C(=C(O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C=C4)OC)CC3)(CC[C@@]2(C(=O)C1)C)[H])[H])[H] ChEBI Ontology Outgoing 4-methoxyestrone 3-O-(β-D-glucuronide) (CHEBI:137965) has functional parent 4-methoxyestrone (CHEBI:136972) 4-methoxyestrone 3-O-(β-D-glucuronide) (CHEBI:137965) is a β-D-glucosiduronic acid (CHEBI:15341) 4-methoxyestrone 3-O-(β-D-glucuronide) (CHEBI:137965) is a 17-oxo steroid (CHEBI:19168) 4-methoxyestrone 3-O-(β-D-glucuronide) (CHEBI:137965) is a aromatic ether (CHEBI:35618) 4-methoxyestrone 3-O-(β-D-glucuronide) (CHEBI:137965) is a steroid glucosiduronic acid (CHEBI:26763) 4-methoxyestrone 3-O-(β-D-glucuronide) (CHEBI:137965) is conjugate acid of 4-methoxyestrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136973) Incoming 4-methoxyestrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136973) is conjugate base of 4-methoxyestrone 3-O-(β-D-glucuronide) (CHEBI:137965) IUPAC Name 4-methoxy-17-oxoestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronic acid Synonyms Sources 2-methoxyestrone 3-O-glucuronide ChEBI 4-MeOE1 3G ChEBI 4-methoxyestrone 3-β-D-glucuronide ChEBI 4-methoxyestrone 3-β-glucuronide ChEBI 4-methoxyestrone 3-glucuronide ChEBI 4-methoxyestrone 3-O-(β-D-glucuronic acid) ChEBI 4-methoxyestrone 3-O-glucuronide ChEBI Registry Number Type Source 24400662 Reaxys Registry Number Reaxys Citation Type Source 15472229 PubMed citation Europe PMC Last Modified 20 July 2017