BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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6-Hydroxyflavanone (C15 H12 O3)

Natural Isotopic formula weight: 240.25398

View large 3D structure

bmse000985 Data

Entry STAR file: bmse000985.str
NMR-STAR interactive viewer
Mol file: bmse000985.mol
All files for bmse000985
Time Domain Data: bmse000985.zip
BMRB Entry DOI: doi:10.13018/BMSE000985

6-Hydroxyflavanone
Source:   aldrich
Solvent:   100 % DMSO
Reference:   0.05 mM TMS

Concentration and pH are given with spectrum
Spectrometer: Bruker DMX - 500 MHz

Data Source: National Magnetic Facility at Madison - Francisca Jofre, Mark E. Anderson, John L. Markley.

View the GISSMO record for this entry.

Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773

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Experimental Data:

1D 1H

Concentration: 100 mM
temperature: 298 K
1D 1H, n/a spectrum for 6-Hydroxyflavanone
Download data directory: bmse000985_1.zip

2D [1H,1H]-TOCSY

Concentration: 100 mM
temperature: 298 K
2D [1H,1H]-TOCSY, n/a spectrum for 6-Hydroxyflavanone
Download data directory: bmse000985_2.zip

1D 13C

Concentration: 100 mM
temperature: 298 K
1D 13C, n/a spectrum for 6-Hydroxyflavanone
Download data directory: bmse000985_3.zip

1D DEPT90

Concentration: 100 mM
temperature: 298 K
1D DEPT90, n/a spectrum for 6-Hydroxyflavanone
Download data directory: bmse000985_4.zip

1D DEPT135

Concentration: 100 mM
temperature: 298 K
1D DEPT135, n/a spectrum for 6-Hydroxyflavanone
Download data directory: bmse000985_5.zip

2D [1H,13C]-HSQC

Concentration: 100 mM
temperature: 298 K
2D [1H,13C]-HSQC, n/a spectrum for 6-Hydroxyflavanone
Download data directory: bmse000985_6.zip

2D [1H,13C]-HMBC

Concentration: 100 mM
temperature: 298 K
2D [1H,13C]-HMBC, n/a spectrum for 6-Hydroxyflavanone
Download data directory: bmse000985_7.zip

2D [1H,1H]-COSY

Concentration: 100 mM
temperature: 298 K
2D [1H,1H]-COSY, n/a spectrum for 6-Hydroxyflavanone
Download data directory: bmse000985_8.zip

2D [1H,13C]-HMQC

Concentration: 100 mM
temperature: 298 K
2D [1H,13C]-HMQC, n/a spectrum for 6-Hydroxyflavanone
Download data directory: bmse000985_9.zip

2D [1H,13C]-HSQC SW small

Concentration: 100 mM
temperature: 298 K
2D [1H,13C]-HSQC SW small, n/a spectrum for 6-Hydroxyflavanone
Download data directory: bmse000985_10.zip