-
(2S)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one Molecule
InChIKey DAWSYIQAGQMLFS-SFHVURJKSA-N
Related Dataset(s)
- Glabranin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- YAC_1K (Compound 8) Glabranin[14]
- Glabranin; LC-ESI-QQQ; MS; [M+H]+
- YAC_1K (Compound 8) Glabranin[15]
- Glabranin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- Glabranin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- YAC_1K (Compound 8) Glabranin.1d
- YAC_1K (Compound 8) Glabranin[99999]
- YAC_1K (Compound 8) Glabranin[17]
- YAC_1K (Compound 8) Glabranin[16]
- YAC_1K (Compound 8) Glabranin[13]
- Glabranin; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- YAC_1K (Compound 8) Glabranin.c13
-
(2S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-2H-chromene Molecule
InChIKey GTWNOIJIMUFLGQ-IBGZPJMESA-N Molecular Formula C22H24O3
Related Dataset(s)
-
(2S)-5-methyl-2-propan-2-ylcyclohexan-1-ol Molecule
InChIKey NOOLISFMXDJSKH-KYHHOPLUSA-N Molecular Formula C10H20O
Related Dataset(s)
-
(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14... Molecule
InChIKey LPLVUJXQOOQHMX-QWBHMCJMSA-N Molecular Formula C42H62O16
Related Dataset(s)
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.1d
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.2d
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_1H.jdf]
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.hmbc
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
- Glycyrrhizic acid; LC-ESI-QTOF; MS
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.cosy
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.hmbc
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.1d
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.dept
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.1d
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- Glycyrrhizin; LC-ESI-ITTOF; MS; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.1d
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.2d
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.roesy
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.hsqc
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_gCOSY.jdf]
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:60 eV; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.cosy
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:70 eV; [M-H]-
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
-
(2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex... Molecule
InChIKey DDUHZTYCFQRHIY-RBHXEPJQSA-N Molecular Formula C17H17ClO6
Related Dataset(s)
- heteronuclear multiple bond coherence (HMBC)
- heteronuclear single quantum coherence (HSQC)
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
- correlation spectroscopy (COSY)
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
- distortionless enhancement with polarization transfer (DEPT)
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
- distortionless enhancement with polarization transfer (DEPT)
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
-
(3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) N-methylcarbamate Molecule
InChIKey PIJVFDBKTWXHHD-UHFFFAOYSA-N Molecular Formula C15H21N3O2
Related Dataset(s)
- Eserine; LC-APCI-QTOF; MS; POSITIVE
- Eserine.dept
- Eserine.1d
- Eserine[12]
- Eserine; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
- Eserine; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
- Eserine[1057]
- Eserine.cosy
- Eserine.1d
- Eserine.hsqc
- Eserine; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
- Eserine[53]
- Eserine[54]
- Eserine[51]
- Eserine[55]
- Physostigmine; LC-ESI-QTOF; MS2
- Eserine; LC-ESI-QTOF; MS; POSITIVE
- Eserine[57]
- Eserine[59]
- Eserine.dept
- Eserine[56]
- Eserine[11]
-
(3-acetyloxy-5-methylphenyl) acetate Molecule
InChIKey KDOYCAADBINREP-UHFFFAOYSA-N Molecular Formula C11H12O4
Related Dataset(s)
- heteronuclear multiple bond coherence (HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- correlation spectroscopy (COSY)
- heteronuclear single quantum coherence (HSQC)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- infrared absorption spectroscopy (IR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- mass spectrometry (MS)
- mass spectrometry (MS)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
-
(3-hydroxy-5-methylphenyl) acetate Molecule
InChIKey WNNFOAQKFKIJQP-UHFFFAOYSA-N Molecular Formula C9H10O3
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- heteronuclear multiple bond coherence (HMBC)
- mass spectrometry (MS)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- heteronuclear single quantum coherence (HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
-
(3R)-3,7-dimethylocta-1,6-dien-3-ol Molecule
InChIKey CDOSHBSSFJOMGT-JTQLQIEISA-N Molecular Formula C10H18O
Related Dataset(s)
-
(3R,4S,6S)-2-(hydroxymethyl)-6-[(2S,3S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)... Molecule
InChIKey GUBGYTABKSRVRQ-NXIVNNIUSA-N Molecular Formula C12H22O11
Related Dataset(s)
-
(3S,10R,13R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,... Molecule
InChIKey KZJWDPNRJALLNS-UIKPJUSWSA-N Molecular Formula C29H50O
Related Dataset(s)
- SitosterolBeta 400MHz CDCl3 NMR data[SitosterolBeta_SITO01_3200u200u_1Hq_spin_13CdecGARP_gfp1612-1-1.jdf]
- SitosterolBeta 400MHz CDCl3 NMR data.cosy
- SitosterolBeta 400MHz CDCl3 NMR data.2d
- SitosterolBeta 400MHz CDCl3 NMR data.
- SitosterolBeta 400MHz CDCl3 NMR data.1d
- SitosterolBeta 400MHz CDCl3 NMR data.hmbc
- SitosterolBeta 400MHz CDCl3 NMR data.2d
- SitosterolBeta 400MHz CDCl3 NMR data.hsqc
- SitosterolBeta 400MHz CDCl3 NMR data.
- SitosterolBeta 400MHz CDCl3 NMR data.2d
-
(3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol Molecule
InChIKey SHZGCJCMOBCMKK-DHVFOXMCSA-N Molecular Formula C6H12O5
Related Dataset(s)
- Desulfated_heterofucan[168]
- Desulfated_heterofucan[164]
- Desulfated_heterofucan[179]
- Desulfated_heterofucan[167]
- Heterofucan[171]
- Heterofucan[169]
- Heterofucan[170]
- Desulfated_heterofucan[159]
- Heterofucan[174]
- Heterofucan[175]
- Heterofucan[173]
- Desulfated_heterofucan[180]
- Heterofucan[172]
- Desulfated_heterofucan[166]
-
(3S,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid Molecule
InChIKey JXOHGGNKMLTUBP-KVQBGUIXSA-N Molecular Formula C7H10O5
Related Dataset(s)
-
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,1... Molecule
InChIKey HCXVJBMSMIARIN-PHZDYDNGSA-N Molecular Formula C29H48O
Related Dataset(s)
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_qHNMR_3540ug200ul_CDCl3_400MHz.jdf]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_STIG02_gHSQC.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_STIG02_HMBC.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data.1d
- STIGMASTEROL; EI-B; MS
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_STIG02_gCOSY.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_13CNMR_CDCl3_400MHz.jdx]
- STIGMASTEROL; EI-B; MS
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[5_Stigmasterol_STIG02_gHMBC]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_qHNMR_CDCl3_400MHz.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_STIG02_13CdeptQ.jdx]
- STIGMASTEROL; EI-B; MS
- Stigmasterol 900MHz 400MHz CDCl3 NMR data.hsqc
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_13CNMR_3540ug200ul_CDCl3_400MHz.jdf]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[1_Stigmasterol_STIG02_1H]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[3_Stigmasterol_STIG02_13CdeptQ]
- STIGMASTEROL; EI-B; MS
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[2_Stigmasterol_STIG02_gCOSY]
-
(4-acetyl-3-acetyloxyphenyl) acetate Molecule
InChIKey FKSHOQTWUWCWTG-UHFFFAOYSA-N Molecular Formula C12H12O5
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- mass spectrometry (MS)
- heteronuclear single quantum coherence (HSQC)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
-
(4-chlorophenyl)methanamine Molecule
InChIKey YMVFJGSXZNNUDW-UHFFFAOYSA-N Molecular Formula C7H8ClN
Related Dataset(s)
- heteronuclear single quantum coherence (HSQC)
- heteronuclear multiple bond coherence (HMBC)
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
-
(4-methylpyridin-2-yl)-bis(2,4,6-trimethylphenyl)phosphane Molecule
InChIKey LBDBPQMFDXLYKP-UHFFFAOYSA-N Molecular Formula C24H28NP
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 31P nuclear magnetic resonance spectroscopy (31P NMR)
- heteronuclear single quantum coherence (HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- mass spectrometry (MS)
- infrared absorption spectroscopy (IR)
-
(4-tert-butylpyridin-2-yl)-diphenylphosphane Molecule
InChIKey SQVJCQZWFOKFFX-UHFFFAOYSA-N Molecular Formula C21H22NP
Related Dataset(s)
- mass spectrometry (MS)
- 31P nuclear magnetic resonance spectroscopy (31P NMR)
- infrared absorption spectroscopy (IR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear single quantum coherence (HSQC)
- single crystal X-ray diffraction (single-crystal X-ray diffraction)
- heteronuclear multiple bond coherence (HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene Molecule
InChIKey XMGQYMWWDOXHJM-JTQLQIEISA-N Molecular Formula C10H16
Related Dataset(s)
