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compound 0051583

Properties

Image

Occurences in reactions

MNX_ID

MNXM128691

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

formula

C₁₅H₁₉O₅

charge

-1

mass

279.1238

reference

InChIKey

ZGHRCSAIMSBFLK-DUZVNCIMSA-M

InChI

InChI=1S/C15H20O5/c1-10(6-13(18)19)4-5-15(20)11(9-16)7-12(17)8-14(15,2)3/h4-7,16,20H,8-9H2,1-3H3,(H,18,19)/p-1/b5-4+,10-6+/t15-/m0/s1

SMILES

CC(/C=C/[C@]1(O)C(CO)=CC(=O)CC1(C)C)=C\C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
envipath:...ddf31b462d5d envipathM:...ddf31b462d5d	compound 0051583
hmdb:HMDB0036094	Nigellic acid (2E,4E)-5-[1-Hydroxy-2-(hydroxymethyl)-6,6-dimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoate (2E,4E)-5-[1-hydroxy-2-(hydroxymethyl)-6,6-dimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid Nigellate
CHEBI:174670 chebi:174670	Nigellic acid (2E,4E)-5-[1-hydroxy-2-(hydroxymethyl)-6,6-dimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
envipath:...b889967be472 envipathM:...b889967be472	compound 0048442
hmdb:HMDB36094	secondary/obsolete/fantasy identifier