All Compounds in Database

Record Name Formula Exact Mass InChIKey Proton NMR Carbon NMR
10800 Canthoside D Canthoside D Canthoside D C18H26O12 434.142 InChIKey=WRMWKBAFARUWLX-FQXXIRCGSA-N No Yes
10803 Pyrrolezanthine Pyrrolezanthine Pyrrolezanthine C14H15N1O3 245.105 InChIKey=KPSZYAMCIRWUTK-UHFFFAOYSA-N No Yes
10804 (-)-Simulanol (-)-Simulanol (-)-Simulanol C21H24O7 388.152 InChIKey=SGRRPSBKBJVKJE-SQBHOSFOSA-N No Yes
10805 Zanthopyranone Zanthopyranone Zanthopyranone C8H10O4 170.058 InChIKey=JZYZONUPRTWCMF-UHFFFAOYSA-N No Yes
10806 Blazeispirol A Blazeispirol A Blazeispirol A C25H34O4 398.246 InChIKey=QJEDIZUTQZCCNK-TVHHQFAESA-N No Yes
10807 Blazeispirol C Blazeispirol C Blazeispirol C C25H36O4 400.261 InChIKey=QEVQGAGSLSJTLO-TVHHQFAESA-N No Yes
10808 Blazeispirol Z Blazeispirol Z Blazeispirol Z C28H38O5 454.272 InChIKey=JVIAZBVHYUCQQG-NAKLDNGTSA-N No Yes
10809 Blazeispirol G Blazeispirol G Blazeispirol G C25H36O5 416.256 InChIKey=MZTFHKCGOTZMAW-TUHYAZFOSA-N No Yes
10810 Blazeispirol I Blazeispirol I Blazeispirol I C25H34O5 414.241 InChIKey=ZQFUYFFDPNJAJG-MGPHVKMZSA-N No Yes
10811 Blazeispirol U Blazeispirol U Blazeispirol U C28H36O4 436.261 InChIKey=YOKQBCLMOKKBED-AJZAVILDSA-N No Yes
10812 Blazeispirol V Blazeispirol V Blazeispirol V C28H38O6 470.267 InChIKey=GKTIPUYIQKAQLI-XBUYSURHSA-N No Yes
10813 Blazeispirol V1 Blazeispirol V1 Blazeispirol V1 C28H38O6 470.267 InChIKey=GKTIPUYIQKAQLI-LTGVEDDOSA-N No Yes
10814 Blazeispirol Z1 Blazeispirol Z1 Blazeispirol Z1 C28H40O5 456.288 InChIKey=JASZNDQUKJVDQJ-NAKLDNGTSA-N No Yes
10815 2,6-dimethyl-5-oxo-heptanoic Acid 2,6-dimethyl-5-oxo-heptanoic Acid 2,6-dimethyl-5-oxo-heptanoic Acid C9H16O3 172.110 InChIKey=KFSWOOWOYKTCDK-UHFFFAOYSA-N No Yes
10816 2-Methyl-5-oxohexanoic acid 2-Methyl-5-oxohexanoic acid 2-Methyl-5-oxohexanoic acid C7H12O3 144.079 InChIKey=RJKCQJNOJDMYEM-UHFFFAOYSA-N No Yes
10817 5-oxo-heptanoic acid 5-oxo-heptanoic acid 5-oxo-heptanoic acid C7H12O3 144.079 InChIKey=PHADZMIQVBXNAW-UHFFFAOYSA-N No Yes
10818 5-CYCLOHEXYL-5-OXOVALERIC ACID 5-CYCLOHEXYL-5-OXOVALERIC ACID 5-CYCLOHEXYL-5-OXOVALERIC ACID C11H18O3 198.126 InChIKey=FEHBUZYBKUOFIA-UHFFFAOYSA-N No Yes
10819 Methyl-2,6-Dimethyl-5-oxoheptanoate Methyl-2,6-Dimethyl-5-oxoheptanoate Methyl-2,6-Dimethyl-5-oxoheptanoate C10H18O3 186.126 InChIKey=UDVSCIOUANKHJU-UHFFFAOYSA-N No Yes
10820 2-Methyl-5-oxohexanoic acid methyl ester 2-Methyl-5-oxohexanoic acid methyl ester 2-Methyl-5-oxohexanoic acid methyl ester C8H14O3 158.094 InChIKey=LRNMVXZETXAXKA-UHFFFAOYSA-N No Yes
10821 6-Hydroxyethiin A 6-Hydroxyethiin A 6-Hydroxyethiin A C5H12N1O4S1 182.049 InChIKey=NMUNZMUPTAGFCJ-AQPAIEDISA-O No Yes
10822 6-Hydroxyethiin A 6-Hydroxyethiin A 6-Hydroxyethiin A C5H12N1O4S1 182.049 InChIKey=NMUNZMUPTAGFCJ-AUIPBDMJSA-O No Yes
10823 (2R)-2-ammonio-3-(2-hydroxyethylthio)propanoate (2R)-2-ammonio-3-(2-hydroxyethylthio)propanoate (2R)-2-ammonio-3-(2-hydroxyethylthio)propanoate C5H11N1O3S1 165.046 InChIKey=MWFRVMDVLYIXJF-BYPYZUCNSA-N No Yes
10824 2-(2-hydroxyethylsulfinylsulfanyl)ethanol 2-(2-hydroxyethylsulfinylsulfanyl)ethanol 2-(2-hydroxyethylsulfinylsulfanyl)ethanol C4H10O3S2 170.007 InChIKey=OMAXTNZZJOQQEK-UHFFFAOYSA-N No Yes
10825 2-benzylsulfinylsulfanylethanol 2-benzylsulfinylsulfanylethanol 2-benzylsulfinylsulfanylethanol C9H12O2S2 216.028 InChIKey=XYTFNAGXLVIKGJ-UHFFFAOYSA-N No Yes
10826 2-benzylsulfanylsulfinylethanol 2-benzylsulfanylsulfinylethanol 2-benzylsulfanylsulfinylethanol C9H12O2S2 216.028 InChIKey=JHSIPSLAQVGISO-UHFFFAOYSA-N No Yes
10827 S-benzyl phenylmethanesulfinothioate S-benzyl phenylmethanesulfinothioate S-benzyl phenylmethanesulfinothioate C14H14O1S2 262.049 InChIKey=VUJONJHZKSZFSA-UHFFFAOYSA-N No Yes
10829 Helibisabonol A Helibisabonol A Helibisabonol A C15H24O4 268.167 InChIKey=TXJTUGYAWQRATI-OTYXRUKQSA-N No Yes
10831 Euoverrine A Euoverrine A Euoverrine A C48H53N1O18 931.326 InChIKey=KYMHLMVXBIUEHQ-WVOXADJESA-N No Yes
10832 Euoverrine B Euoverrine B Euoverrine B C43H49N1O18 867.295 InChIKey=WQXGLECMNMWOGT-WQCHBFGESA-N No Yes
10833 Euophelline Euophelline Euophelline C47H53N1O17 903.331 InChIKey=VUOJEJMCXNCCIA-HQQAEUKRSA-N No Yes
10834 Euojaponine C Euojaponine C Euojaponine C C46H51N1O17 889.316 InChIKey=GGHQUSJPRBOPAX-JHDWRRSNSA-N No Yes
10835 3,4,5,6-Tetradehydroyohimbine 3,4,5,6-Tetradehydroyohimbine 3,4,5,6-Tetradehydroyohimbine C21H22N2O3 350.163 InChIKey=UWMTZXSCMQAECK-RMBDZISWSA-N No Yes
10836 3,4,5,6-Tetradehydro-(Z)-geissoschizol 3,4,5,6-Tetradehydro-(Z)-geissoschizol 3,4,5,6-Tetradehydro-(Z)-geissoschizol C19H20N2O1 292.158 InChIKey=ICJZOHPEKMAUGQ-AGIOQNCLSA-N No Yes
10837 3,4,5,6-Tetradehydrogeissoschizol 3,4,5,6-Tetradehydrogeissoschizol 3,4,5,6-Tetradehydrogeissoschizol C19H20N2O1 292.158 InChIKey=ICJZOHPEKMAUGQ-VMPILDALSA-N No Yes
10838 3,4,5,6-Tetradehydrogeissoschizine-17-O-b-D-glucopyranoside 3,4,5,6-Tetradehydrogeissoschizine-17-O-b-D-glucopyranoside 3,4,5,6-Tetradehydrogeissoschizine-17-O-b-D-glucopyranoside C27H30N2O8 510.200 InChIKey=RQOSKKZXFRIGDC-FWWAYKISSA-N No Yes
10839 Serpentine Serpentine Serpentine C21H20N2O3 348.147 InChIKey=WYTGDNHDOZPMIW-VBNZEHGJSA-N No Yes
10842 Abscisic acid-b-D-glucopyranosyl ester (ABA-GE) Abscisic acid-b-D-glucopyranosyl ester (ABA-GE) Abscisic acid-b-D-glucopyranosyl ester (ABA-GE) C21H30O9 426.189 InChIKey=HLVPIMVSSMJFPS-VTEUUMMASA-N No Yes
10843 (2S)-5-hydroxy-2-(4-methoxyphenyl)-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one (2S)-5-hydroxy-2-(4-methoxyphenyl)-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one (2S)-5-hydroxy-2-(4-methoxyphenyl)-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one C21H20O5 352.131 InChIKey=DYYGGFDQLZIZEE-KRWDZBQOSA-N No Yes
10844 Phellodensin D Phellodensin D Phellodensin D C20H20O6 356.126 InChIKey=ZBVQSGGQLPHKKZ-MYJWUSKBSA-N No Yes
10845 7,7'-Dihydroxy-3,8'-biscoumain 7,7'-Dihydroxy-3,8'-biscoumain 7,7'-Dihydroxy-3,8'-biscoumain C18H10O6 322.048 InChIKey=BXHOOISUHNRJMT-UHFFFAOYSA-N No Yes
10846 6-(8'-Umbellyferyl)-apigenin 6-(8'-Umbellyferyl)-apigenin 6-(8'-Umbellyferyl)-apigenin C24H14O8 430.069 InChIKey=VWTICXYJGDWYDN-UHFFFAOYSA-N No Yes
10847 6-(8'-Umbellyferyl)-apigenin 6-(8'-Umbellyferyl)-apigenin 6-(8'-Umbellyferyl)-apigenin C24H14O8 430.069 InChIKey=VWTICXYJGDWYDN-UHFFFAOYSA-N No Yes
10848 8-(6'-Umbelliferyl)-apigenin 8-(6'-Umbelliferyl)-apigenin 8-(6'-Umbelliferyl)-apigenin C24H14O8 430.069 InChIKey=FMWIFPFFTSSPJI-UHFFFAOYSA-N No Yes
10849 4',6'-Diacetyl-viburnolide A 4',6'-Diacetyl-viburnolide A 4',6'-Diacetyl-viburnolide A C25H28O15 568.143 InChIKey=QHPQAHUEQHZVON-BMEZNHJSSA-N No Yes
10850 4',6'-Diacetyl-12-coumaroyl-viburnolide A 4',6'-Diacetyl-12-coumaroyl-viburnolide A 4',6'-Diacetyl-12-coumaroyl-viburnolide A C34H34O17 714.180 InChIKey=VZJTUABWBMICNX-SFOQCQSSSA-N No Yes
10851 Tetraacetylviburnolide A Tetraacetylviburnolide A Tetraacetylviburnolide A C29H32O17 652.164 InChIKey=IFUGOZKKYGPOOE-SRANQPJQSA-N No Yes
10852 7-Hydroxy-12-methoxy-20-nor-abieta-1,5(10),7,9,12-pentaen-6,14-dione 7-Hydroxy-12-methoxy-20-nor-abieta-1,5(10),7,9,12-pentaen-6,14-dione 7-Hydroxy-12-methoxy-20-nor-abieta-1,5(10),7,9,12-pentaen-6,14-dione C20H22O4 326.152 InChIKey=YHKPYEOKBQKJKK-UHFFFAOYSA-N No Yes
10853 12-Deoxyroyleanone 12-Deoxyroyleanone 12-Deoxyroyleanone C20H28O2 300.209 InChIKey=MGLVTTCGMPKDDR-JXFKEZNVSA-N No Yes
10854 Dendroside D Dendroside D Dendroside D C27H44O14 592.273 InChIKey=LRLWNFCOLQJNHA-KNCJFJOOSA-N No Yes
10855 C15H24O4 268.167 InChIKey=NBBKCKSUTLLINK-NIIHLSIHSA-N No Yes