All Compounds in Database

Record▼▲ Name▼▲ Formula▼▲ Exact Mass▼▲ InChIKey▼▲ Proton NMR▼▲ Carbon NMR▼▲
6975 Pentagalloylglucose Pentagalloylglucose Pentagalloylglucose C41H32O26 940.118 InChIKey=QJYNZEYHSMRWBK-NIKIMHBISA-N No Yes
6976 1,2,3,6-Tetragalloylglucose 1,2,3,6-Tetragalloylglucose 1,2,3,6-Tetragalloylglucose C34H28O22 788.107 InChIKey=RATQVALKDAUZBW-XPMKZLBQSA-N No Yes
6977 4-O-Methyl guaiacylglycerol 9-O-beta-glucopyranoside 4-O-Methyl guaiacylglycerol 9-O-beta-glucopyranoside 4-O-Methyl guaiacylglycerol 9-O-beta-glucopyranoside C17H26O10 390.153 InChIKey=UBFSPQXFYOBOKD-ALOQOGBISA-N No Yes
6978 bmse010091 bmse010091 bmse010091 C11H16O5 228.100 InChIKey=NHELEQGRSPWRNT-UHFFFAOYSA-N No Yes
6979 4-O-methylguaiacylglycerol 8-O-b-glucopyranoside 4-O-methylguaiacylglycerol 8-O-b-glucopyranoside 4-O-methylguaiacylglycerol 8-O-b-glucopyranoside C17H26O10 390.153 InChIKey=VQXHZMYMVDMDBY-JQDNAHFASA-N No Yes
6980 3-hydroxyrutaecarpine 3-hydroxyrutaecarpine 3-hydroxyrutaecarpine C18H12N3O2 302.093 InChIKey=NDJIQTYBQIKAGG-UHFFFAOYSA-N No Yes
6981 Heliotropinone A Heliotropinone A Heliotropinone A C18H22O4 302.152 InChIKey=KUMTUFPJQNENGL-UHFFFAOYSA-N No Yes
6982 Heliotropinone B Heliotropinone B Heliotropinone B C18H22O4 302.152 InChIKey=BXCIAOQSXHNBSF-UHFFFAOYSA-N No Yes
6983 Blepharin (HBOA-Glc) Blepharin (HBOA-Glc) Blepharin (HBOA-Glc) C14H17N1O8 327.095 InChIKey=PYQSUTLVBSTCSK-TWTZXXGESA-N No Yes
6984 DIBOA-Glc DIBOA-Glc DIBOA-Glc C14H17N1O9 343.090 InChIKey=OUSLYTBGQGKTME-TWTZXXGESA-N No Yes
6985 DHBOA-Glc DHBOA-Glc DHBOA-Glc C14H17N1O9 343.090 InChIKey=VUFDXOACUHDTLI-TWTZXXGESA-N No Yes
6987 (2R)-2-(beta-D-Glucopyranosyloxy)-5-hydroxy-2H-1,4-benzoxazine-3(4H)-one (2R)-2-(beta-D-Glucopyranosyloxy)-5-hydroxy-2H-1,4-benzoxazine-3(4H)-one (2R)-2-(beta-D-Glucopyranosyloxy)-5-hydroxy-2H-1,4-benzoxazine-3(4H)-one C14H17N1O9 343.090 InChIKey=YPZCYJRATPTXDI-HXDZQNIASA-N No Yes
6988 Grycerol 2-O-fucopyranoside Grycerol 2-O-fucopyranoside Grycerol 2-O-fucopyranoside C9H18O7 238.105 InChIKey=ZVTDSJFUFCKPJJ-VDTAYCBBSA-N No Yes
6989 D-quinovitol D-quinovitol D-quinovitol C6H14O5 166.084 InChIKey=SKCKOFZKJLZSFA-JGWLITMVSA-N No Yes
6990 L- rhamnitol L- rhamnitol L- rhamnitol C6H14O5 166.084 InChIKey=SKCKOFZKJLZSFA-BXKVDMCESA-N No Yes
6991 L-fucitol L-fucitol L-fucitol C6H14O5 166.084 InChIKey=SKCKOFZKJLZSFA-KCDKBNATSA-N No Yes
6992 1-deoxy-d-glucitol 1-deoxy-d-glucitol 1-deoxy-d-glucitol C6H14O5 166.084 InChIKey=SKCKOFZKJLZSFA-SLPGGIOYSA-N No Yes
6993 (5S,6R,8R,9R,10S)-6-Acetoxy-9,15-dihydroxylabda-13-ene-16-oic acid 16,15-lactone (5S,6R,8R,9R,10S)-6-Acetoxy-9,15-dihydroxylabda-13-ene-16-oic acid 16,15-lactone (5S,6R,8R,9R,10S)-6-Acetoxy-9,15-dihydroxylabda-13-ene-16-oic acid 16,15-lactone C22H34O5 378.241 InChIKey=FFOPQHZFBMZAKK-UJHQHGQKSA-N No Yes
6994 (5S,6S,8R,9R,10S)-6-Acetoxy-9,15-dihydroxylabda-13-ene-16-oic acid 16,15-lactone (5S,6S,8R,9R,10S)-6-Acetoxy-9,15-dihydroxylabda-13-ene-16-oic acid 16,15-lactone (5S,6S,8R,9R,10S)-6-Acetoxy-9,15-dihydroxylabda-13-ene-16-oic acid 16,15-lactone C22H34O5 378.241 InChIKey=FFOPQHZFBMZAKK-NDOLZWLNSA-N No Yes
6995 (5S,6R,8R,9R,10S)-6-Acetoxy-9,15-dihydroxy-15-methoxylabda-13-ene-16-oic acid 16,15-lactone (5S,6R,8R,9R,10S)-6-Acetoxy-9,15-dihydroxy-15-methoxylabda-13-ene-16-oic acid 16,15-lactone (5S,6R,8R,9R,10S)-6-Acetoxy-9,15-dihydroxy-15-methoxylabda-13-ene-16-oic acid 16,15-lactone C23H36O6 408.251 InChIKey=JCLASDLCCPVVAB-AJIAUDRRSA-N No Yes
6996 (rel 5S,6R,8R,9R,10S,13S,16S)-6-Acetoxy-9,13-epoxy-16-methoxy-labdan-15,16-olide (rel 5S,6R,8R,9R,10S,13S,16S)-6-Acetoxy-9,13-epoxy-16-methoxy-labdan-15,16-olide (rel 5S,6R,8R,9R,10S,13S,16S)-6-Acetoxy-9,13-epoxy-16-methoxy-labdan-15,16-olide C23H36O6 408.251 InChIKey=SFOHMBBFSBTGGN-OPACOYJVSA-N No Yes
6997 (rel 5S,6R,8R,9R,10S,13R,16S)-6-Acetoxy-9,13-epoxy-16-methoxylabdan-15,16-olide (rel 5S,6R,8R,9R,10S,13R,16S)-6-Acetoxy-9,13-epoxy-16-methoxylabdan-15,16-olide (rel 5S,6R,8R,9R,10S,13R,16S)-6-Acetoxy-9,13-epoxy-16-methoxylabdan-15,16-olide C23H36O6 408.251 InChIKey=SFOHMBBFSBTGGN-JRBOFYKASA-N No Yes
6998 (rel 5S,6R,8R,9R,10S,13S)-6-Acetoxy-9,13-epoxy-15-methoxy-labdan-16,15-olide (rel 5S,6R,8R,9R,10S,13S)-6-Acetoxy-9,13-epoxy-15-methoxy-labdan-16,15-olide (rel 5S,6R,8R,9R,10S,13S)-6-Acetoxy-9,13-epoxy-15-methoxy-labdan-16,15-olide C23H36O6 408.251 InChIKey=MBAXCJZDNOCWCW-VCLCFZOBSA-N No Yes
6999 (rel 5S,6R,8R,9R,10S,13R)-6-Acetoxy-9,13-epoxy-15-methoxy-labdan-16,15-olide (rel 5S,6R,8R,9R,10S,13R)-6-Acetoxy-9,13-epoxy-15-methoxy-labdan-16,15-olide (rel 5S,6R,8R,9R,10S,13R)-6-Acetoxy-9,13-epoxy-15-methoxy-labdan-16,15-olide C23H36O6 408.251 InChIKey=MBAXCJZDNOCWCW-PFNARKKTSA-N No Yes
7000 (rel 5S,8R,9R,10S,13S,15S,16R)-9,13;15,16-Diepoxy-15,16-dimethoxylabdane (rel 5S,8R,9R,10S,13S,15S,16R)-9,13;15,16-Diepoxy-15,16-dimethoxylabdane (rel 5S,8R,9R,10S,13S,15S,16R)-9,13;15,16-Diepoxy-15,16-dimethoxylabdane C22H38O4 366.277 InChIKey=DDLXKCMOPRPBNK-KJHUPWGBSA-N No Yes
7001 (rel 5S,8R,9R,10S,13S,15R,16S)-9,13;15,16-Diepoxy-15,16-dimethoxylabdane (rel 5S,8R,9R,10S,13S,15R,16S)-9,13;15,16-Diepoxy-15,16-dimethoxylabdane (rel 5S,8R,9R,10S,13S,15R,16S)-9,13;15,16-Diepoxy-15,16-dimethoxylabdane C22H38O4 366.277 InChIKey=DDLXKCMOPRPBNK-DNNXKHSDSA-N No Yes
7002 (rel 5S,8R,9R,10S,13S,15R,16R)-9,13;15,16-Diepoxy-15,16-dimethoxylabdane (rel 5S,8R,9R,10S,13S,15R,16R)-9,13;15,16-Diepoxy-15,16-dimethoxylabdane (rel 5S,8R,9R,10S,13S,15R,16R)-9,13;15,16-Diepoxy-15,16-dimethoxylabdane C22H38O4 366.277 InChIKey=DDLXKCMOPRPBNK-LBCMOLISSA-N No Yes
7003 (5beta,8S,9alpha,10alpha,13R)-8,13-Epoxylabda-14-ene-3alpha-ol 3-benzoate (5beta,8S,9alpha,10alpha,13R)-8,13-Epoxylabda-14-ene-3alpha-ol 3-benzoate (5beta,8S,9alpha,10alpha,13R)-8,13-Epoxylabda-14-ene-3alpha-ol 3-benzoate C27H38O3 410.282 InChIKey=SBCBNYBKPVGHMP-CJBNNBOSSA-N No Yes
7004 (5beta,8S,9alpha,10alpha,13R)-8,13-Epoxylabda-14-ene-3alpha-ol 3-(4-nitrobenzoate) (5beta,8S,9alpha,10alpha,13R)-8,13-Epoxylabda-14-ene-3alpha-ol 3-(4-nitrobenzoate) (5beta,8S,9alpha,10alpha,13R)-8,13-Epoxylabda-14-ene-3alpha-ol 3-(4-nitrobenzoate) C27H37N1O5 455.267 InChIKey=NOWDWOBWYYJWRA-CJBNNBOSSA-N No Yes
7005 (5beta,8S,9alpha,10alpha,13R)-8,13-Epoxylabda-14-ene-3alpha-ol 3-(phenylcarbamate) (5beta,8S,9alpha,10alpha,13R)-8,13-Epoxylabda-14-ene-3alpha-ol 3-(phenylcarbamate) (5beta,8S,9alpha,10alpha,13R)-8,13-Epoxylabda-14-ene-3alpha-ol 3-(phenylcarbamate) C27H39N1O3 425.293 InChIKey=NGHGRIMLINAVKY-CJBNNBOSSA-N No Yes
7006 (5beta,8S,9alpha,10alpha,13R)-8,13-Epoxylabda-14-ene-3alpha-ol 3-(4-methoxyphenylcarbamate) (5beta,8S,9alpha,10alpha,13R)-8,13-Epoxylabda-14-ene-3alpha-ol 3-(4-methoxyphenylcarbamate) (5beta,8S,9alpha,10alpha,13R)-8,13-Epoxylabda-14-ene-3alpha-ol 3-(4-methoxyphenylcarbamate) C28H41N1O4 455.304 InChIKey=IYMPMRGVEPQDPQ-VYVNIPKWSA-N No Yes
7007 (5beta,8S,9alpha,10alpha,13R)-8,13-Epoxylabda-14-ene-3alpha-ol 3-(dodecylcarbamate) (5beta,8S,9alpha,10alpha,13R)-8,13-Epoxylabda-14-ene-3alpha-ol 3-(dodecylcarbamate) (5beta,8S,9alpha,10alpha,13R)-8,13-Epoxylabda-14-ene-3alpha-ol 3-(dodecylcarbamate) C33H59N1O3 517.449 InChIKey=VRRUOZACSHCIPT-KHSSOVARSA-N No Yes
7008 ent-13-epi-Manoyloxide-3-yl n-Amylcarbamate ent-13-epi-Manoyloxide-3-yl n-Amylcarbamate ent-13-epi-Manoyloxide-3-yl n-Amylcarbamate C26H45N1O3 419.340 InChIKey=RXFOVQNAALQYQU-WXWOAPRPSA-N No Yes
7010 12b ,19-Dihydroxymanoyl Oxide 12b ,19-Dihydroxymanoyl Oxide 12b ,19-Dihydroxymanoyl Oxide C20H36O3 324.266 InChIKey=WSEAQQPSSQPHRP-XUAJKLOYSA-N No Yes
7011 12-Hydroxylabda-8(20),13-diene-15,19-dioic acid 15,12-lactone 12-Hydroxylabda-8(20),13-diene-15,19-dioic acid 15,12-lactone 12-Hydroxylabda-8(20),13-diene-15,19-dioic acid 15,12-lactone C20H28O4 332.199 InChIKey=RZOJUNXETNSSSH-TYJOJIONSA-N No Yes
7012 12,15-Epoxylabda-8(20),13-dien-18-oic acid 12,15-Epoxylabda-8(20),13-dien-18-oic acid 12,15-Epoxylabda-8(20),13-dien-18-oic acid C20H30O3 318.219 InChIKey=FOFOBMPUEROEKT-TYCHOANJSA-N No Yes
7013 (11E,13E)-8-Hydroxylabda-11,13-diene-15-al (11E,13E)-8-Hydroxylabda-11,13-diene-15-al (11E,13E)-8-Hydroxylabda-11,13-diene-15-al C20H32O2 304.240 InChIKey=YHBFRGBMNZJQNZ-GMFATLNBSA-N No Yes
7014 (13xi)-13-Hydroxylabda-8(20),11,14-trien-18-oic acid (13xi)-13-Hydroxylabda-8(20),11,14-trien-18-oic acid (13xi)-13-Hydroxylabda-8(20),11,14-trien-18-oic acid C20H30O3 318.219 InChIKey=IHXWVVUXBITQBH-WOJVTUOPSA-N No Yes
7015 (1S,8aalpha)-1,4abeta-Dimethyl-5alpha-[2-(2-oxo-5-methoxy-2,5-dihydrofuran-3-yl)ethyl]-6-methylenedecalin-1beta-carboxylic acid (1S,8aalpha)-1,4abeta-Dimethyl-5alpha-[2-(2-oxo-5-methoxy-2,5-dihydrofuran-3-yl)ethyl]-6-methylenedecalin-1beta-carboxylic acid (1S,8aalpha)-1,4abeta-Dimethyl-5alpha-[2-(2-oxo-5-methoxy-2,5-dihydrofuran-3-yl)ethyl]-6-methylenedecalin-1beta-carboxylic acid C21H30O5 362.209 InChIKey=OREKSZUASHFFQA-MZGGREPNSA-N No Yes
7016 (5beta,8alpha,9beta,10alpha,13S)-Pimara-15-ene-3alpha,8-diol (5beta,8alpha,9beta,10alpha,13S)-Pimara-15-ene-3alpha,8-diol (5beta,8alpha,9beta,10alpha,13S)-Pimara-15-ene-3alpha,8-diol C20H34O2 306.256 InChIKey=UIVFXGICZLHPQO-LZHQGQFHSA-N No Yes
7017 14-Deoxy-11,12-didehydroandrographolide 14-Deoxy-11,12-didehydroandrographolide 14-Deoxy-11,12-didehydroandrographolide C20H28O4 332.199 InChIKey=XMJAJFVLHDIEHF-CRBRZBHVSA-N No Yes
7018 LS-1 LS-1 LS-1 C20H28O6 364.189 InChIKey=VZRWIDGDKDCZIY-FHZWTMRJSA-N No Yes
7019 LS-2 LS-2 LS-2 C22H28O6 388.189 InChIKey=UVJSXDGDMYHLIG-OCFWJZSCSA-N No Yes
7020 M-5 M-5 M-5 C20H30O11S2 510.123 InChIKey=GIOODOBKZXPHFS-SCNSOLTMSA-N No Yes
7021 M-6 M-6 M-6 C20H30O11S2 510.123 InChIKey=GIOODOBKZXPHFS-VFCLNGDNSA-N No Yes
7022 M-7 M-7 M-7 C20H30O10S2 494.128 InChIKey=GIOODRZBWUVFLR-OTVACULJSA-N No Yes
7023 M-8 M-8 M-8 C20H28O4 332.199 InChIKey=XMJAJFVLHDIEHF-CRBRZBHVSA-N No Yes
7024 M-10 M-10 M-10 C20H30O4 334.214 InChIKey=GVRNTWSGBWPJGS-YSDSKTICSA-N No Yes
7025 Excolabdone A Excolabdone A Excolabdone A C24H36O8 452.241 InChIKey=XACYGKRCJGBYTB-KSNSWAPDSA-N No Yes
7026 Excolabdone B Excolabdone B Excolabdone B C24H36O8 452.241 InChIKey=JSLBYYLMKKSQQW-AQLRWBRBSA-N No Yes