Coniferin

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Systematic / IUPAC Name: 4-[(1E)-3-Hydroxy-1-propen-1-yl]-2-methoxyphenyl β-D-glucopyranoside

ID: Reference8104

Other Names: (E)-Coniferin;
Abietin;
Coniferoside;
Coniferyl alcohol β-δ-glucoside;
Coniferyl alcohol β-D-glucoside ; more

Formula: C16H22O8

Spectral Data

Coniferin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 215
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 7/20/2018 11:31:49 AM
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Identificators

InChI InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1
InChI Key SFLMUHDGSQZDOW-FAOXUISGSA-N
Canonical SMILES COC1=C(C=CC(=C1)C=CCO)OC2C(C(C(C(O2)CO)O)O)O
CAS 531293
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Other Names (E)-Coniferin;
Abietin;
Coniferoside;
Coniferyl alcohol β-δ-glucoside;
Coniferyl alcohol β-D-glucoside;
Coniferyl alcohol-4-O-β-D-glucopyranoside;
Laricin;
β-D-Glucopyranoside, 4-(3-hydroxy-1-propenyl)-2-methoxyphenyl (van);
(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]oxane-3,4,5-triol;
4-(3-Hydroxyprop-1-en-1-yl)-2-methoxyphenyl β-δ-glucopyranoside;
4-(3-Hydroxyprop-1-en-1-yl)-2-methoxyphenyl β-D-glucopyranoside

In Other Databases

ChemSpider 4444067
HMDb HMDB13682
ChemIDPlus 000531293
ChEMBL CHEMBL459056
KEGG C00761
PubChem 5280372
Wikipedia Coniferin
ChEBI CHEBI:16220