17beta-estradiol-3,4-quinone (CHEBI:174035)

CHEBI:174035 - 17β-estradiol-3,4-quinone

Formula	C18H22O3
Net Charge	0
Average Mass	286.371
Monoisotopic Mass	286.15689
SMILES	[H][C@@]12CCC3=C(C=CC(=O)C3=O)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]
InChI	InChI=1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,16,20H,2-3,5,7-9H2,1H3/t11-,12-,14+,16+,18+/m1/s1
InChIKey	XVPUMLOTNZVTSL-ZHIYBZGJSA-N

ChEBI Ontology

Outgoing Relation(s)
	17β-estradiol-3,4-quinone (CHEBI:174035) is a oxo steroid (CHEBI:35789)

IUPAC Name
17β-hydroxyestra-1,5(10)-diene-3,4-dione

Synonym	Source
E2-3,4-Q	ChEBI

Manual Xrefs	Databases
60729	ChemSpider
HMDB0060085	HMDB

Citations