rosmarinate

Chemical Formula:

C₁₈H₁₅O₈

Molecular Weight:

359.312 Daltons

Monoisotopic Mass:

360.0845174904 Daltons

SMILES:

C(C=CC1(C=C(C(=CC=1)O)O))(OC(C([O-])=O)CC2(C=CC(=C(C=2)O)O))=O

InChI:

1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/p-1/b6-3+/t16-/m1/s1

InChIKey:

DOUMFZQKYFQNTF-WUTVXBCWSA-M

Synonyms

rosmarinic acid
rosmary acid
(2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoate

Databases

MetaCyc: CPD-6981

RefMet: Rosmarinic acid

HMDB: HMDB03572

ChEBI: 71493

PubChem (CID): 25245604 5281792

CAS: 537-15-5

KEGG: C01850

KNApSAcK: C00002770

Seed: cpd01273

MetaNetX: MNXM722836