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3,5-dimethylorsellinate

Properties

Image

Occurences in reactions

MNX_ID

MNXM147761

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	2

formula

C₁₀H₁₁O₄

charge

-1

mass

195.06628

reference

InChIKey

NZGSNQJCTOMELT-UHFFFAOYSA-M

InChI

InChI=1S/C10H12O4/c1-4-5(2)8(11)6(3)9(12)7(4)10(13)14/h11-12H,1-3H3,(H,13,14)/p-1

SMILES

Cc1c(C)c(C(=O)[O-])c(O)c(C)c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:131856 chebi:131856	3,5-dimethylorsellinate 2,4-dihydroxy-3,5,6-trimethylbenzoate
metacyc.compound:CPD-17316 metacycM:CPD-17316 seed.compound:cpd34344 seedM:cpd34344	3,5-dimethylorsellinate 3,5-dimethylorsellinic acid
CHEBI:132131 chebi:132131	3,5-dimethylorsellinic acid 2,4-dihydroxy-3,5,6-trimethylbenzoic acid DMOA
seedM:M_cpd34344	secondary/obsolete/fantasy identifier