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3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate

Properties

Image

Occurences in reactions

MNX_ID

MNXM5033

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	2

formula

C₁₃H₁₇O₄

charge

-1

mass

237.11323

reference

InChIKey

PCCFNLPWOFTZPJ-RVBZMBCESA-M

InChI

InChI=1S/C13H18O4/c1-13-7-6-10(14)8(2-5-12(16)17)9(13)3-4-11(13)15/h8-9H,2-7H2,1H3,(H,16,17)/p-1/t8-,9-,13-/m0/s1

SMILES

C[C@]12CCC(=O)[C@@H](CCC(=O)[O-])[C@@H]1CCC2=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:63692 chebi:63692	3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate 3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydroinden-4-yl]propanoate 9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oate 9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oate(1-)
seed.compound:cpd21432 seedM:cpd21432	3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate 3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate 9,17-Dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid 9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oate 9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid DOHNAA HIP
kegg.compound:C20199 keggC:C20199	3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate 9,17-Dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid DOHNAA HIP
metacyc.compound:CPD-13711 metacycM:CPD-13711	3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate 3aalpha-H-4alpha(3'-propanoate)-7abeta-methylhexahydro-1,5-indane-dione 9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oate 9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid HIP
envipath:...adee43e9362b envipathM:...adee43e9362b	9,17-Dioxo-1,2,3,4,10,19-hexanorandrostan-5-oate
sabiork.compound:31144 sabiorkM:31144	9,17-Dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid DOHNAA
CHEBI:63741 chebi:63741	9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid 3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxooctahydro-1H-inden-4-yl]propanoic acid
keggC:M_C20199 seedM:M_cpd21432	secondary/obsolete/fantasy identifier