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neopentalenolactone D

Properties

Image

Occurences in reactions

MNX_ID

MNXM12449

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₁₅H₁₉O₄

charge

-1

mass

263.12888

reference

InChIKey

ZMLAXRVFMBEJIF-GCTGHDABSA-M

InChI

InChI=1S/C15H20O4/c1-8-15-7-14(2,3)6-9(15)4-10(13(17)18)11(15)5-12(16)19-8/h4,8-9,11H,5-7H2,1-3H3,(H,17,18)/p-1/t8-,9+,11-,15+/m0/s1

SMILES

C[C@@H]1OC(=O)C[C@H]2C(C(=O)[O-])=C[C@@H]3CC(C)(C)C[C@]312

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:70859 chebi:70859	neopentalenolactone D (1S,4aR,6aS,9aR)-1,8,8-trimethyl-3-oxo-4,4a,6a,7,8,9-hexahydro-3H-pentaleno[6a,1-c]pyran-5-carboxylate neopentalenolactone D(1-)
seed.compound:cpd31084 seedM:cpd31084 kegg.compound:C20402 keggC:C20402	Neopentalenolactone D
metacyc.compound:CPD-13623 metacycM:CPD-13623 seed.compound:cpd23967 seedM:cpd23967	neopentalenolactone D
CHEBI:70866 chebi:70866	neopentalenolactone D (1S,4aR,6aS,9aR)-1,8,8-trimethyl-3-oxo-4,4a,6a,7,8,9-hexahydro-3H-pentaleno[6a,1-c]pyran-5-carboxylic acid
keggC:M_C20402 seedM:M_cpd23967 seedM:M_cpd31084	secondary/obsolete/fantasy identifier