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9alpha-hydroxyandrosta-1,4-diene-3,17-dione

Properties

Image

Occurences in reactions

MNX_ID

MNXM3890

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	1

formula

C₁₉H₂₄O₃

charge

mass

300.398

reference

chebi:63641

InChIKey

JCEUDJXAQHPZGL-PLOWYNNNSA-N

InChI

InChI=1S/C19H24O3/c1-17-9-10-19(22)15(14(17)5-6-16(17)21)4-3-12-11-13(20)7-8-18(12,19)2/h7-8,11,14-15,22H,3-6,9-10H2,1-2H3/t14-,15-,17-,18-,19+/m0/s1

SMILES

[CH3:1][C@:17]12[CH2:9][CH2:10][C@@:19]3([OH:22])[C@@H:15]([CH2:4][CH2:3][C:12]4=[CH:11][C:13](=[O:20])[CH:7]=[CH:8][C@@:18]43[CH3:2])[C@@H:14]1[CH2:5][CH2:6][C:16]2=[O:21]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:63641 chebi:63641	9alpha-hydroxyandrosta-1,4-diene-3,17-dione 9-hydroxyandrosta-1,4-diene-3,17-dione 9alpha-Hydroxyandrosta-1,4-diene-3,17-dione
kegg.compound:C14909 keggC:C14909	9alpha-Hydroxyandrosta-1,4-diene-3,17-dione
seed.compound:cpd10606 seedM:cpd10606	9alpha-Hydroxyandrosta-1,4-diene-3,17-dione 9alpha-hydroxy-1,4-androstadiene-3,17-dione 9alpha-hydroxyandrosta-1,4-diene-3,17-dione
SLM:000390219 slm:000390219	9alpha-hydroxyandrosta-1,4-diene-3,17-dione
metacyc.compound:CPD-13680 metacycM:CPD-13680	9alpha-hydroxyandrosta-1,4-diene-3,17-dione 9alpha-hydroxy-1,4-androstadiene-3,17-dione
keggC:M_C14909 seedM:M_cpd10606	secondary/obsolete/fantasy identifier