2-Hydroxy-3-methoxyestrone (CHEBI:166764)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:166764 - 2-Hydroxy-3-methoxyestrone

Take structure to advanced search

ChEBI ID	CHEBI:166764
ChEBI Name	2-Hydroxy-3-methoxyestrone
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C19H24O3
Net Charge	0
Average Mass	300.398
Monoisotopic Mass	300.17254
SMILES	COc1cc2c(cc1O)C1CC[C@@]3(C)C(=O)CCC3C1CC2
InChI	InChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17(22-2)16(20)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12?,13?,15?,19-/m1/s1
InChIKey	YBCPNMOFBUWYTP-ACOLZQMSSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-Hydroxy-3-methoxyestrone (CHEBI:166764) has parent hydride estrane (CHEBI:23966)
	2-Hydroxy-3-methoxyestrone (CHEBI:166764) is a steroid (CHEBI:35341)

IUPAC Name
(13R)-2-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

Manual Xrefs	Databases
HMDB0011195	HMDB