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pentalenolactone D

Properties

Image

Occurences in reactions

MNX_ID

MNXM12598

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

formula

C₁₅H₁₉O₄

charge

-1

mass

263.12888

reference

InChIKey

MRLXXQBBRNRWDA-LIEMUPCESA-M

InChI

InChI=1S/C15H20O4/c1-8-13(18)19-6-11-10(12(16)17)4-9-5-14(2,3)7-15(8,9)11/h4,8-9,11H,5-7H2,1-3H3,(H,16,17)/p-1/t8-,9-,11+,15-/m1/s1

SMILES

C[C@@H]1C(=O)OC[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:70787 chebi:70787	pentalenolactone D (4S,4aR,7aS,9aR)-4,6,6-trimethyl-3-oxo-1,3,4,5,6,7,7a,9a-octahydropentaleno[1,6a-c]pyran-9-carboxylate pentalenolactone D anion pentalenolactone D(1-)
seed.compound:cpd31082 seedM:cpd31082 kegg.compound:C20399 keggC:C20399	Pentalenolactone D
metacyc.compound:CPD-13621 metacycM:CPD-13621 seed.compound:cpd23965 seedM:cpd23965	pentalenolactone D
CHEBI:70805 chebi:70805	pentalenolactone D (4S,4aR,7aS,9aR)-4,6,6-trimethyl-3-oxo-1,3,4,5,6,7,7a,9a-octahydropentaleno[1,6a-c]pyran-9-carboxylic acid
keggC:M_C20399 seedM:M_cpd23965 seedM:M_cpd31082	secondary/obsolete/fantasy identifier