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androsta-1,4-diene-3,17-dione

Properties

Image

Occurences in reactions

MNX_ID

MNXM3538

	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	1

formula

C₁₉H₂₄O₂

charge

mass

284.17763

reference

InChIKey

LUJVUUWNAPIQQI-QAGGRKNESA-N

InChI

InChI=1S/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1

SMILES

C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:40799 chebi:40799	androsta-1,4-diene-3,17-dione 1,4-Androstadiene-3,17-dione 1-Dehydroandrostenedione ADD ADT ANDROSTA-1,4-DIENE-3,17-DIONE Androstadienedione Boldione
envipath:...2af5198bb564 envipathM:...2af5198bb564 kegg.compound:C20144 keggC:C20144	Androsta-1,4-diene-3,17-dione
seed.compound:cpd21377 seedM:cpd21377	Androsta-1,4-diene-3,17-dione androsta-1,4-diene-3,17-dione
hmdb:HMDB0003422	Boldione (1S,2R,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-diene-5,14-dione 1,4-Androstadiene-3,17-dione 1-Dehydroandrostenedione ADD ADT Androst-1,4-diene-3,17-dione Androsta-1,4-diene-3, 17-dione Androsta-1,4-diene-3,17-dione Androstadienedione Androstane-1,4-diene-3, 17-dione Androstra-1,4-diene-3,17-dione androsta-1,4-diene-3,17-dione
metacyc.compound:CPD-13704 metacycM:CPD-13704 SLM:000389820 slm:000389820	androsta-1,4-diene-3,17-dione
hmdb:HMDB03422 keggC:M_C20144 seedM:M_cpd21377	secondary/obsolete/fantasy identifier