-
(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]-
-
(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]
-
(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]
-
(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene Molecule
InChIKey XMGQYMWWDOXHJM-JTQLQIEISA-N Molecular Formula C10H16
Related Dataset(s)
-
(4aS,10aS)-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthre... Molecule
InChIKey ISHVJVXYPLFKAL-AZUAARDMSA-N Molecular Formula C20H28O
Related Dataset(s)
-
(4aS,5aR,8aS,13aR,15aR,15bS)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-m... Molecule
InChIKey QMGVPVSNSZLJIA-KGSDWGHESA-N Molecular Formula C21H22N2O2
Related Dataset(s)
-
(4aS,7S,8R,8aS)-7-(hydroxymethyl)-4,4a,7,8-tetramethyl-5,6,8,8a-tetrahydro-1H... Molecule
InChIKey WGASFLVJNBOWPQ-FAAHXZRKSA-N
Related Dataset(s)
- pyruvate-3-13C- labeled comp 1[13C]
- pyruvate-3-13C - unlabeled[13C]
- glucose-1-13C - labeled[1H]
- olindenone A (1)[HSQC]
- glucose-1-13C - unlabeled[13C]
- pyruvate-3-13C - unlabeled[1H]
- glucose-1-13C - unlabeled[1H]
- glucose-1-13C - labeled.1d
- olindenone A (1)[COSY]
- pyruvate-3-13C- labeled comp 1[1H]
- olindenone A (1)[1H]
- olindenone A (1).hmbc
-
(4aS,9S,10aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanth... Molecule
InChIKey JMYBTVXXLMTVKS-CMKODMSKSA-N Molecular Formula C20H30O
Related Dataset(s)
-
(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one Molecule
InChIKey ULDHMXUKGWMISQ-SECBINFHSA-N
Related Dataset(s)
- (-)-Carvone[6]
- (R)-2-METHYL-5-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-ONE; EI-B; MS
- (-)-Carvone[1]
- (-)-Carvone[4]
- R-(-)-Carvone; ESI-QTOF; MS2; CE: 20; [M+H]+
- (-)-Carvone[3]
- (-)-Carvone[5]
- (-)-Carvone.1d
- (-)-Carvone[2]
- (-)-Carvone[4]
- R-(-)-Carvone; ESI-QTOF; MS2; CE: 10; [M+H]+
- (-)-Carvone[3]
- (-)-Carvone[5]
- (-)-Carvone[6]
- (-)-Carvone[2]
-
(5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one Molecule
InChIKey NZGWDASTMWDZIW-MRVPVSSYSA-N Molecular Formula C10H16O
Related Dataset(s)
- Pulegone.aptjmod
- NMR_Pulegone_Bruker-FID.hmbc
- Pulegone.hsqc
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- Pulegone.proton
- NMR_Pulegone_Bruker-FID.noesy
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- NMR_Pulegone_Bruker-FID[3]
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- NMR_Pulegone_Bruker-FID.1d
- electron ionisation mass spectrometry (EI-MS)
- Pulegone.cosy
- ultraviolet-visible spectrophotometry (UV-VIS)
- NMR_Pulegone_Bruker-FID.hsqc
- Pulegone.hmbc
- NMR_Pulegone_Bruker-FID.aptjmod
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- Pulegone.noesy
-
(6-acetyloxy-13-bromo-5-methyl-19-oxapentacyclo[10.5.2.01,13.02,10.05,9]nonad... Molecule
InChIKey NZSDFLXRBNYEQL-UHFFFAOYSA-N
Related Dataset(s)
- S3-5_SODXXI_090_FULL_OXACYCLE_CLEAN_08_26_2021-CPS3-5.hsqc
- S3-5_SODXXI_090_FULL_OXACYCLE_CLEAN_08_26_2021-CPS3-5[5]
- S3-5_SODXXI_090_FULL_OXACYCLE_CLEAN_08_26_2021-CPS3-5[1]
- S3-5_SODXXI_090_FULL_OXACYCLE_CLEAN_08_26_2021-CPS3-5[2]
- S3-5_SODXXI_090_FULL_OXACYCLE_CLEAN_08_26_2021-CPS3-5[4]
- S3-5_SODXXI_090_FULL_OXACYCLE_CLEAN_08_26_2021-CPS3-5[3]
- S3-5_SODXXI_090_FULL_OXACYCLE_CLEAN_08_26_2021-CPS3-5[6]
