ChemicalBook--->CAS DataBase List--->618-67-7

618-67-7

618-67-7 Structure

618-67-7 Structure
IdentificationBack Directory
[Name]

MELILOTOSIDE
[CAS]

618-67-7
[Synonyms]

MELILOTOSIDE
Trans-Melilotoside
β-D-Glucosyl-2-coumarate
Melilotoside >=95% (LC/MS-ELSD)
trans-β-D-Glucosyl-2-hydroxycinnamate
trans-o-Hydroxycinnamic acid glucoside
(E)-2-(β-D-Glucopyranosyloxy)cinnamic acid
2-(β-D-Glucopyranosyloxy)-trans-cinnamic acid
(E)-3-[2-(β-D-Glucopyranosyloxy)phenyl]propenoic acid
2-Propenoic acid, 3-[2-(β-D-glucopyranosyloxy)phenyl]-, (2E)-
[Molecular Formula]

C15H18O8
[MDL Number]

MFCD24849316
[MOL File]

618-67-7.mol
[Molecular Weight]

326.3
Chemical PropertiesBack Directory
[storage temp. ]

-20°C
[form ]

Solid
[color ]

White to off-white
[InChI]

InChI=1/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/s3
[InChIKey]

GVRIYIMNJGULCZ-QAYJGLFZNA-N
[SMILES]

C(O)(=O)/C=C/C1=CC=CC=C1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1 |&1:12,13,15,17,19,r|
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319
[Precautionary statements ]

P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36
[Safety Statements ]

26
[WGK Germany ]

3
Hazard InformationBack Directory
[Uses]

metabolomics
vitamins, nutraceuticals, and natural products
[Definition]

ChEBI: Trans-beta-D-glucosyl-2-hydroxycinnamic acid is a glucosyl hydroxycinnamic acid. It is a conjugate acid of a trans-beta-D-glucosyl-2-hydroxycinnamate.
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