-
(13aS)-9-ethoxy-3-propoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquin... Molecule
InChIKey JHLIBYXPSIHAKP-SFHVURJKSA-N
Related Dataset(s)
-
(13aS)-9-hexoxy-3-propoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquin... Molecule
InChIKey VGIIDBWOPSJFIE-QFIPXVFZSA-N
Related Dataset(s)
-
(13aS)-9-pentoxy-3-propoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoqui... Molecule
InChIKey CIQIXAAZIFEHQC-NRFANRHFSA-N
Related Dataset(s)
-
(17-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyc... Molecule
InChIKey QXKRUGDXPWHXHL-UHFFFAOYSA-N
Related Dataset(s)
- S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3.1d
- S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3[7]
- S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3[6]
- S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3.1d
- S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3[4]
- S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3[5]
- S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3[3]
-
(17-acetyloxy-10-formyl-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1... Molecule
InChIKey VZZVDHGDRPQCMC-UHFFFAOYSA-N
Related Dataset(s)
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[1]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[8]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[5]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[4]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[3]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[6]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[2]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[7]
-
(17-acetyloxy-5-bromo-6-hydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16... Molecule
InChIKey QUFXCTFKQBQMQC-UHFFFAOYSA-N
Related Dataset(s)
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4[1]
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4[3]
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4.hsqc
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4[5]
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4.noesy
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4[4]
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4[2]
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4.hmbc
-
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione Molecule
InChIKey VFLDPWHFBUODDF-FCXRPNKRSA-N Molecular Formula C21H20O6
Related Dataset(s)
- Curcumin annotated NMR 400 MHz DMSOd6 data[13C.jdf]
- Curcumine; LC-APCI-QTOF; MS; NEGATIVE
- Curcumin; LC-ESI-ITTOF; MS; [M+H]+
- Curcumin; LC-ESI-ITTOF; MS2; [M-H]-
- Curcumin annotated NMR 400 MHz DMSOd6 data[COSY.jdx]
- Curcumin annotated NMR 400 MHz DMSOd6 data[1H.jdf]
- Curcumine; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
- Curcumine; LC-ESI-QTOF; MS; NEGATIVE
- Curcumin annotated NMR 400 MHz DMSOd6 data[HSQC.jdf]
- Curcumin annotated NMR 400 MHz DMSOd6 data[COSY.jdf]
- Curcumin annotated NMR 400 MHz DMSOd6 data[HMBC.jdf]
- Curcumine; LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
- Curcumine; LC-APCI-QTOF; MS; POSITIVE
- Curcumine; LC-ESI-QTOF; MS; POSITIVE
- Curcumin annotated NMR 400 MHz DMSOd6 data[1H.jdx]
- Curcumin annotated NMR 400 MHz DMSOd6 data[HMBC.jdx]
- Curcumin annotated NMR 400 MHz DMSOd6 data[13C.jdx]
- CURCUMIN; EI-B; MS
- Curcumin annotated NMR 400 MHz DMSOd6 data[HSQC.jdx]
- Curcumine; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
-
(1R,14R)-14-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8... Molecule
InChIKey AQBZCCQCDWNNJQ-AUSIDOKSSA-N
Related Dataset(s)
-
(1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15... Molecule
InChIKey IXORZMNAPKEEDV-OBDJNFEBSA-N Molecular Formula C19H22O6
Related Dataset(s)
- Gibberellic acid; LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
- Gibberellic acid; LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
- Gibberellin A3; LC-ESI-QQ; MS2; CE:30.0 eV; [M-H]-
- Gibberellin A3; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- Gibberellin A3; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- Gibberellic acid; LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
- Gibberellic Acid[1]
- Gibberellic acid; LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
- Gibberellin A3; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- Gibberellic Acid[2]
- Gibberellic acid; LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
- Gibberellic acid; LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
- Gibberellin A3; LC-ESI-QQ; MS2; CE:10.0 eV; [M-H]-
- Gibberellin A3; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
- Gibberellin A3; LC-ESI-QQ; MS2; CE:20.0 eV; [M-H]-
-
(1R,2S,3R)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimet... Molecule
InChIKey CTTSYRDQSMAGNT-SZWZKDINSA-N
Related Dataset(s)
-
(1R,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol Molecule
InChIKey DSCFFEYYQKSRSV-FEPQRWDDSA-N
Related Dataset(s)
-
(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol Molecule
InChIKey NOOLISFMXDJSKH-KXUCPTDWSA-N Molecular Formula C10H20O
Related Dataset(s)
-
(1R,3S,4S,5S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-1,5-dimethylcyclopent... Molecule
InChIKey PEQRNFISRBKXOW-BTFPBAQTSA-N
Related Dataset(s)
-
(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-pro... Molecule
InChIKey MQYXUWHLBZFQQO-QGTGJCAVSA-N Molecular Formula C30H50O
Related Dataset(s)
- Lupeol 900MHz 400MHz CDCl3 NMR data.2d
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_qH.jdf]
- Lupeol 900MHz 400MHz CDCl3 NMR data.dept
- Lupeol 900MHz 400MHz CDCl3 NMR data[4_Lupeol_HSQC]
- Lupeol 900MHz 400MHz CDCl3 NMR data[2_Lupeol_gcosy]
- Lupeol 900MHz 400MHz CDCl3 NMR data.hmbc
- Lupeol 900MHz 400MHz CDCl3 NMR data.hmbc
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_HSQC.jdf]
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_gHSQC.jdx]
- Lupeol 900MHz 400MHz CDCl3 NMR data.hmbc
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_q1H.jdx]
- Lupeol 900MHz 400MHz CDCl3 NMR data[1_Lupeol_1H]
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_400_gCOSY.jdx]
- Lupeol 900MHz 400MHz CDCl3 NMR data.2d
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_13C.jdf]
- Lupeol 900MHz 400MHz CDCl3 NMR data[3_Lupeol_13CdeptQ]
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_400_HSQC.jdx]
- Lupeol 900MHz 400MHz CDCl3 NMR data.1d
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_gCOSY.jdx]
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_13C.jdx]
-
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentameth... Molecule
InChIKey QGJZLNKBHJESQX-FZFNOLFKSA-N Molecular Formula C30H48O3
Related Dataset(s)
- Betulic acid.cosy
- Classics_BetulinicAcid[6]
- Classics_BetulinicAcid.hsqc_tocsy
- Classics_BetulinicAcid.noesy
- Betulic acid.aptjmod
- Classics_BetulinicAcid.c13
- Classics_BetulinicAcid[1]
- Betulic acid.noesy
- Betulic acid.hmbc
- Classics_BetulinicAcid[8]
- Classics_BetulinicAcid.apt
- Classics_BetulinicAcid[4]
- Betulic acid.proton
-
(1R,6R,13R)-13-hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyc... Molecule
InChIKey JFVKWCYZKMUTLH-AYPBNUJASA-N
Related Dataset(s)
- YAC_4C (Compound 16) 12a-Hydroxyrotenone[14]
- YAC_4C (Compound 16) 12a-Hydroxyrotenone[12]
- YAC_4C (Compound 16) 12a-Hydroxyrotenone.1d
- YAC_4C (Compound 16) 12a-Hydroxyrotenone.hsqc
- YAC_4C (Compound 16) 12a-Hydroxyrotenone[99999]
- YAC_4C (Compound 16) 12a-Hydroxyrotenone[13]
- YAC_4C (Compound 16) 12a-Hydroxyrotenone.hmbc
- YAC_4C (Compound 16) 12a-Hydroxyrotenone.noesy
-
(1S,12S)-15-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]ico... Molecule
InChIKey DQXBSJMCLQLJKV-DLBZAZTESA-N
Related Dataset(s)
-
(1S,12S)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9... Molecule
InChIKey HUKSJTUUSUGIDC-BDJLRTHQSA-N
Related Dataset(s)
-
(1S,14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacy... Molecule
InChIKey WVTKBKWTSCPRNU-KYJUHHDHSA-N Molecular Formula C38H42N2O6
Related Dataset(s)
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_HSQC_400MHz_JDX.jdx]
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_13CNMR_400MHz_JDX.jdx]
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_1HNMR_600MHz_JDX.jdx]
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_1HNMR_400MHz_JDX.jdx]
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_1HNMR_400MHz_Jeol.jdf]
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS; POSITIVE
- (S,S)-(+)-Tetrandrine; LC-APCI-QTOF; MS; POSITIVE
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_13CNMR_600MHz_JDX.jdx]
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_COSY_400MHz_Jeol.jdf]
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_13CNMR_400MHz_Jeol.jdf]
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_HSQC_400MHz_Jeol.jdf]
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_COSY_400MHz_JDX.jdx]
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_HMBC_400MHz_Jeol.jdf]
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_HMBC_400MHz_JDX.jdx]
