-
(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,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]hept... Molecule
InChIKey ASUTZQLVASHGKV-JDFRZJQESA-N Molecular Formula C17H21NO3
Related Dataset(s)
- Galantamine.apt
- Galantamine.cosy
- Galantamine.noesy
- Galantamine.hmbc
- Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- (-)Galanthamine; LC-APCI-QTOF; MS; POSITIVE
- Galantamine.hsqc
- Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- (-)Galanthamine; LC-ESI-QTOF; MS; POSITIVE
- Galantamine.proton
- Galanthamine; LC-ESI-QQQ; MS; [M+H]+
- Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
-
(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
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_HMBC_400MHz_Jeol.jdf]
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_HSQC_400MHz_Jeol.jdf]
- (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_HMBC_400MHz_JDX.jdx]
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_1HNMR_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_1HNMR_400MHz_Jeol.jdf]
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_HSQC_400MHz_JDX.jdx]
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_13CNMR_600MHz_JDX.jdx]
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS; POSITIVE
- (+)-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_400MHz_JDX.jdx]
- (+)-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_COSY_400MHz_Jeol.jdf]
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (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_400MHz_Jeol.jdf]
- (S,S)-(+)-Tetrandrine; LC-APCI-QTOF; MS; POSITIVE
-
(1S,2R,4aS,6aS,6bR,10S,12aR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5... Molecule
InChIKey WCGUUGGRBIKTOS-POPPTPIPSA-N Molecular Formula C30H48O3
Related Dataset(s)
- Ursolic Acid 400MHz DMSOd6 NMR data[Proton_NMR.jdx]
- Ursolic Acid 400MHz DMSOd6 NMR data[UrsolicAcid_URSO01_3160u200u_gHSQC_DecEnh_gfp1612-1-1.jdf]
- Ursolic Acid 400MHz DMSOd6 NMR data[HMBC.jdx]
- Ursolic Acid 400MHz DMSOd6 NMR data[UrsolicAcid_URSO01_3160u200u_gHMBC_8Hz_NS8_gfp1612-1-1.jdf]
- Ursolic Acid 400MHz DMSOd6 NMR data[HSQC.jdx]
- Ursolic Acid 400MHz DMSOd6 NMR data[UrsolicAcid_URSO01_3160u200u_CarbonRegDec_4096_gfp1612-1-1.jdf]
- Ursolic Acid 400MHz DMSOd6 NMR data.cosy
- Ursolic Acid 400MHz DMSOd6 NMR data[UrsolicAcid_URSO01_3160u200u_gCOSY_NS4_gfp1612-1-1.jdf]
- Ursolic Acid 400MHz DMSOd6 NMR data[UrsolicAcid_URSO01_3160u200u_1Hq_spin_13CdecGARP_gfp1612-1-1.jdf]
- Ursolic Acid 400MHz DMSOd6 NMR data[13C_NMR.jdx]
-
(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol Molecule
InChIKey NOOLISFMXDJSKH-GUBZILKMSA-N Molecular Formula C10H20O
Related Dataset(s)
-
(1S,3S,6S,7S,8R)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-3-ol Molecule
InChIKey GGHMUJBZYLPWFD-JVSQWTDWSA-N Molecular Formula C15H26O
Related Dataset(s)
-
(1S,4E,6R,10R,12E,14S,15S,17S,18S,19S)-19-benzyl-6,15-dihydroxy-10,17-dimethy... Molecule
InChIKey GBOGMAARMMDZGR-TYHYBEHESA-N
Related Dataset(s)
-
(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one Molecule
InChIKey USMNOWBWPHYOEA-MRTMQBJTSA-N Molecular Formula C10H16O
Related Dataset(s)
-
(1S,4R,5S,8R,9R,12R,13S)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.... Molecule
InChIKey BLUAFEHZUWYNDE-LJWSOQGGSA-N Molecular Formula C15H22O5
Related Dataset(s)
-
(1S,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one Molecule
InChIKey USMNOWBWPHYOEA-XKSSXDPKSA-N Molecular Formula C10H16O
Related Dataset(s)
- -Thujone.apt
- Classics_b-Thujon.cosy
- Classics_b-Thujon.proton
- -Thujone.proton
- -Thujone.hmbc
- -Thujone.proton
- Classics_b-Thujon[2]
- -Thujone.cosy
- -Thujone.noesy
- -Thujone.cosy
- -Thujone.hsqc
- Classics_b-Thujon.hmbc
- Classics_b-Thujon.noesy
- Classics_b-Thujon.hsqc
- -Thujone.apt
- -Thujone.hmbc
- -Thujone.noesy
- -Thujone.hsqc
-
(1S,4S,7S,9R)-4-benzyl-9-hydroxy-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]he... Molecule
InChIKey QFUWWFVUUNGOMO-CPLUKWAASA-N
Related Dataset(s)
-
(1S,4S,7S,9R)-9-hydroxy-4-(1H-indol-3-ylmethyl)-2,5,16-triazatetracyclo[7.7.0... Molecule
InChIKey ZXNHGYZICBCEIG-YHDSQAASSA-N
Related Dataset(s)
- (3S,5aS,10bR,11aS)-3-((1H-indol-3-yl)methyl)-10b-hydroxy-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[2b 1H.jdf]
- (3S,5aS,10bR,11aS)-3-((1H-indol-3-yl)methyl)-10b-hydroxy-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[2b 13C.jdf]
- (3S,5aS,10bR,11aS)-3-((1H-indol-3-yl)methyl)-10b-hydroxy-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[2b NOESY.jdf]
-
(1S,4S,7S,9R)-9-hydroxy-4-(2-methylsulfanylethyl)-2,5,16-triazatetracyclo[7.7... Molecule
InChIKey ALNWVOBRFCMSET-GVAFMPQTSA-N
Related Dataset(s)
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(2-(methylthio)ethyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[5b NOESY.jdf]
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(2-(methylthio)ethyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione.2d
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(2-(methylthio)ethyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[5b HMBC.jdf]
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(2-(methylthio)ethyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[5b COSY.jdf]
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(2-(methylthio)ethyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione.1d
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(2-(methylthio)ethyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[5b 13C.jdf]
-
(1S,4S,7S,9R)-9-hydroxy-4-[(4-hydroxyphenyl)methyl]-2,5,16-triazatetracyclo[7... Molecule
InChIKey VSZDKEGHNKLVGT-CPLUKWAASA-N
Related Dataset(s)
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(4-hydroxybenzyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[3b COSY.jdf]
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(4-hydroxybenzyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[3b HSQC.jdf]
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(4-hydroxybenzyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[3b 1H.jdf]
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(4-hydroxybenzyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[3b 13C.jdf]
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(4-hydroxybenzyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[3b NOESY.jdf]
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(4-hydroxybenzyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[3b HMBC.jdf]
-
(1S,4S,7S,9R)-9-hydroxy-4-methyl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]he... Molecule
InChIKey PPPVCOHMWJOTSG-ZMHRIIPESA-N
Related Dataset(s)
-
(1S,6R,13S)-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.0... Molecule
InChIKey JUVIOZPCNVVQFO-HBGVWJBISA-N Molecular Formula C23H22O6
Related Dataset(s)
- Rotenone; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
- Rotenone; LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
- Rotenone; LC-APCI-QTOF; MS; NEGATIVE
- Rotenone; LC-ESI-ITFT; MS; [M+H]+; isotope pattern
- Rotenone; LC-ESI-QTOF; MS; POSITIVE
- Rotenone; LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
- YAC_4B (Compound 14) Rotenone.hsqc
- Rotenone; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- YAC_4B (Compound 14) Rotenone[99999]
- YAC_4B (Compound 14) Rotenone.hmbc
- Rotenone; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
- Rotenone; LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
- YAC_4B (Compound 14) Rotenone[14]
- Rotenone; LC-ESI-QQQ; MS; [M+H]+
- Rotenone; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- YAC_4B (Compound 14) Rotenone.c13
- Rotenone; LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
- Rotenone; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
- YAC_4B (Compound 14) Rotenone[15]
- Rotenone; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
- Rotenone; LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
- Rotenone; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
- Rotenone; LC-ESI-ITFT; MS2; CE 70 eV; [M+H]+
- Rotenone; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
- Rotenone; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- YAC_4B (Compound 14) Rotenone[11]
- Rotenone; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- Rotenone; LC-APCI-QTOF; MS; POSITIVE
- YAC_4B (Compound 14) Rotenone.cosy
- Rotenone; LC-ESI-QTOF; MS; NEGATIVE
-
(1S,9R)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one Molecule
InChIKey ANJTVLIZGCUXLD-BDAKNGLRSA-N
Related Dataset(s)
-
(2-iodo-5-methoxyphenyl)methanol Molecule
InChIKey AYLPYLQTOJCHSH-UHFFFAOYSA-N Molecular Formula C8H9IO2
Related Dataset(s)
-
(2E)-2-(3-oxo-1H-indol-2-ylidene)-1H-indol-3-one Molecule
InChIKey COHYTHOBJLSHDF-BUHFOSPRSA-N Molecular Formula C16H10N2O2
Related Dataset(s)
