Methyl rosmarinate (CHEBI:175804)

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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 rosmarinate

ChEBI ID	CHEBI:175804

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H18O8

Net Charge

Average Mass

374.345

Monoisotopic Mass

374.10017

InChI

InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3/b7-4+/t17-/m1/s1

InChIKey

XHALVRQBZGZHFE-BBOMDTFKSA-N

SMILES

O([C@H](CC1=CC(O)=C(O)C=C1)C(OC)=O)C(=O)/C=C/C2=CC(O)=C(O)C=C2

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Methyl rosmarinate (CHEBI:175804) is a hydroxycinnamic acid (CHEBI:24689)

IUPAC Name

methyl (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoate