Methyl 4-(4,6-dihydroxy-5-methoxy-2,5-dimethyl-3-oxocyclohexen-1-yl)oxy-2-hydroxy-3,6-dimethylbenzoate (CHEBI:181274)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Methyl 4-(4,6-dihydroxy-5-methoxy-2,5-dimethyl-3-oxocyclohexen-1-yl)oxy-2-hydroxy-3,6-dimethylbenzoate

ChEBI ID	CHEBI:181274

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H24O8

Net Charge

Average Mass

380.393

Monoisotopic Mass

380.14712

InChI

InChI=1S/C19H24O8/c1-8-7-11(9(2)13(20)12(8)18(24)25-5)27-15-10(3)14(21)16(22)19(4,26-6)17(15)23/h7,16-17,20,22-23H,1-6H3

InChIKey

BXZJZDQDHHZIIB-UHFFFAOYSA-N

SMILES

O(C1(C(O)C(OC2=C(C(O)=C(C(=C2)C)C(OC)=O)C)=C(C(=O)C1O)C)C)C

ChEBI Ontology
Outgoing	Methyl 4-(4,6-dihydroxy-5-methoxy-2,5-dimethyl-3-oxocyclohexen-1-yl)oxy-2-hydroxy-3,6-dimethylbenzoate (CHEBI:181274) has functional parent salicylic acid (CHEBI:16914) Methyl 4-(4,6-dihydroxy-5-methoxy-2,5-dimethyl-3-oxocyclohexen-1-yl)oxy-2-hydroxy-3,6-dimethylbenzoate (CHEBI:181274) is a benzoate ester (CHEBI:36054) Methyl 4-(4,6-dihydroxy-5-methoxy-2,5-dimethyl-3-oxocyclohexen-1-yl)oxy-2-hydroxy-3,6-dimethylbenzoate (CHEBI:181274) is a phenols (CHEBI:33853)

IUPAC Name

methyl 4-(4,6-dihydroxy-5-methoxy-2,5-dimethyl-3-oxocyclohexen-1-yl)oxy-2-hydroxy-3,6-dimethylbenzoate