All Compounds in Database

Record▼▲ Name▼▲ Formula▼▲ Exact Mass▼▲ InChIKey▼▲ Proton NMR▼▲ Carbon NMR▼▲
5728 5-Deoxy-7-methylbostrycoidin 5-Deoxy-7-methylbostrycoidin 5-Deoxy-7-methylbostrycoidin C16H13N1O4 283.084 InChIKey=VGBBISRTVGXTLB-UHFFFAOYSA-N No Yes
5729 Ajugarin II Ajugarin II Ajugarin II C22H32O6 392.220 InChIKey=QDGFAVMJPYRERF-FYHNCAPNSA-N No Yes
5730 6-Acetoxy-4,18-epoxy-19-hydroxyneoclerod-13-en-15,16-olide 6-Acetoxy-4,18-epoxy-19-hydroxyneoclerod-13-en-15,16-olide 6-Acetoxy-4,18-epoxy-19-hydroxyneoclerod-13-en-15,16-olide C22H32O6 392.220 InChIKey=ATQSLLMQFIYMLY-FYHNCAPNSA-N No Yes
5731 4,18-epoxy-6-hydroxy-19-oxoneoclerod-13-en-15,16-olide 4,18-epoxy-6-hydroxy-19-oxoneoclerod-13-en-15,16-olide 4,18-epoxy-6-hydroxy-19-oxoneoclerod-13-en-15,16-olide C20H28O5 348.194 InChIKey=QEVXSUGCGBXIOV-KOSZUTRVSA-N No Yes
5732 19-acetoxy-4,18-epoxy-6-oxoneoclerod-13-en-15,16-olide 19-acetoxy-4,18-epoxy-6-oxoneoclerod-13-en-15,16-olide 19-acetoxy-4,18-epoxy-6-oxoneoclerod-13-en-15,16-olide C22H30O6 390.204 InChIKey=WXHJFCBRTATGMZ-NPZIIBKFSA-N No Yes
5733 6-acetoxy-4,18-epoxy-19-oxoneoclerod-13-en-15,16-olide 6-acetoxy-4,18-epoxy-19-oxoneoclerod-13-en-15,16-olide 6-acetoxy-4,18-epoxy-19-oxoneoclerod-13-en-15,16-olide C22H30O6 390.204 InChIKey=UKODVMVTJKPTLM-FYHNCAPNSA-N No Yes
5735 1,19;4,18-diepoxy-6-hydroxyneoclerod-13-en-15,16-olide 1,19;4,18-diepoxy-6-hydroxyneoclerod-13-en-15,16-olide 1,19;4,18-diepoxy-6-hydroxyneoclerod-13-en-15,16-olide C20H28O5 348.194 InChIKey=BUAZYLDEOFKLSO-DIFBKIQNSA-N No Yes
5736 19-acetoxy-4,6-dioxo-18-norneoclerod-13-en-15,16-olide 19-acetoxy-4,6-dioxo-18-norneoclerod-13-en-15,16-olide 19-acetoxy-4,6-dioxo-18-norneoclerod-13-en-15,16-olide C21H28O6 376.189 InChIKey=PWSJLQQCEFLXHY-DWIRZFKOSA-N No Yes
5741 15,16-Epoxy-8(17),13(16),14-ent-labdatrien-20,19-olide 15,16-Epoxy-8(17),13(16),14-ent-labdatrien-20,19-olide 15,16-Epoxy-8(17),13(16),14-ent-labdatrien-20,19-olide C20H26O3 314.188 InChIKey=GWSYJSBQYQWLDU-IZBJGVDFSA-N No Yes
5742 Potamogetonyde Potamogetonyde Potamogetonyde C22H30O4 358.214 InChIKey=OPDQOKREXYCJHD-YUMYIRISSA-N No Yes
5743 15,16-Epoxy-12-oxo-8(17),13(16),14-entlabdatrien-20,19-olide 15,16-Epoxy-12-oxo-8(17),13(16),14-entlabdatrien-20,19-olide 15,16-Epoxy-12-oxo-8(17),13(16),14-entlabdatrien-20,19-olide C20H24O4 328.167 InChIKey=MMJRZYRMOZZOKA-WSTLGDPDSA-N No Yes
5744 12(S)-Hydroxy-15,16-epoxy-8(17),13(16),14-ent-labdatrien-20,19-olide 12(S)-Hydroxy-15,16-epoxy-8(17),13(16),14-ent-labdatrien-20,19-olide 12(S)-Hydroxy-15,16-epoxy-8(17),13(16),14-ent-labdatrien-20,19-olide C20H26O4 330.183 InChIKey=KYZAWEZJJFQWBQ-FPPGBKCQSA-N No Yes
5745 10α,19-Dihydroxy-15,16-epoxy-8(17),13(16),14-nor-ent-labdatriene 10α,19-Dihydroxy-15,16-epoxy-8(17),13(16),14-nor-ent-labdatriene 10α,19-Dihydroxy-15,16-epoxy-8(17),13(16),14-nor-ent-labdatriene C19H28O3 304.204 InChIKey=GHWVPMFSXMFAIQ-AKHDSKFASA-N No Yes
5746 19,20-Dihydroxy-15,16-epoxy-8(17),13(16),14-ent-labdatriene 19,20-Dihydroxy-15,16-epoxy-8(17),13(16),14-ent-labdatriene 19,20-Dihydroxy-15,16-epoxy-8(17),13(16),14-ent-labdatriene C20H30O3 318.219 InChIKey=AGXJCNOBJWLHQO-YSTOQKLRSA-N No Yes
5747 15,16-Epoxy-12-oxo-8(17),13(16),14-entlabdatrien-19,20-olide 15,16-Epoxy-12-oxo-8(17),13(16),14-entlabdatrien-19,20-olide 15,16-Epoxy-12-oxo-8(17),13(16),14-entlabdatrien-19,20-olide C20H24O4 328.167 InChIKey=NELUXAHWLQZBLF-RARDXLECSA-N No Yes
5748 (1R,2R,7R)-2-[(2S)-2-(3-Furyl)-2-hydroxyethyl]-7-methyl-3-methylene-9-oxatricyclo[5.3.3.01,6]tridecan-10-one (1R,2R,7R)-2-[(2S)-2-(3-Furyl)-2-hydroxyethyl]-7-methyl-3-methylene-9-oxatricyclo[5.3.3.01,6]tridecan-10-one (1R,2R,7R)-2-[(2S)-2-(3-Furyl)-2-hydroxyethyl]-7-methyl-3-methylene-9-oxatricyclo[5.3.3.01,6]tridecan-10-one C20H26O4 330.183 InChIKey=KYZAWEZJJFQWBQ-RISVGRPXSA-N No Yes
5749 (1R,4S,10S)-4-[(7R)-7-Hydroxy-6-oxooctyl]-7,7-dimethyl-10-benzyl-3,6,9,12-tetraazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone (1R,4S,10S)-4-[(7R)-7-Hydroxy-6-oxooctyl]-7,7-dimethyl-10-benzyl-3,6,9,12-tetraazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone (1R,4S,10S)-4-[(7R)-7-Hydroxy-6-oxooctyl]-7,7-dimethyl-10-benzyl-3,6,9,12-tetraazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone C28H40N4O6 528.295 InChIKey=UXOLDMJAFJDQSE-RYFAJOAYSA-N No Yes
5750 SCHEMBL17072222 SCHEMBL17072222 SCHEMBL17072222 C28H40N4O5 512.300 InChIKey=HNGIDTWZBOOVGG-RJGXRXQPSA-N No Yes
5751 [(2R)-8-[(3S,9S,12R)-3-benzyl-6,6-dimethyl-2,5,8,11-tetraoxo-1,4,7,10-tetrazabicyclo[10.3.0]pentadecan-9-yl]-3-oxooctan-2-yl] acetate [(2R)-8-[(3S,9S,12R)-3-benzyl-6,6-dimethyl-2,5,8,11-tetraoxo-1,4,7,10-tetrazabicyclo[10.3.0]pentadecan-9-yl]-3-oxooctan-2-yl] acetate [(2R)-8-[(3S,9S,12R)-3-benzyl-6,6-dimethyl-2,5,8,11-tetraoxo-1,4,7,10-tetrazabicyclo[10.3.0]pentadecan-9-yl]-3-oxooctan-2-yl] acetate C30H42N4O7 570.305 InChIKey=DGYUADDUGZTHSO-QLBRKBSLSA-N No Yes
5753 4-O-(6'-O-Galloyl-b-D-glucopyranosyl)-cis-pcoumaric acid 4-O-(6'-O-Galloyl-b-D-glucopyranosyl)-cis-pcoumaric acid 4-O-(6'-O-Galloyl-b-D-glucopyranosyl)-cis-pcoumaric acid C22H22O12 478.111 InChIKey=OQIDAEMOCBOIEJ-DTAZHOOCSA-N No Yes
5754 [(2R,3S,4S,5R,6R)-6-[cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate [(2R,3S,4S,5R,6R)-6-[cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate [(2R,3S,4S,5R,6R)-6-[cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate C21H21N1O10 447.117 InChIKey=BYILEHCAHZEAIX-VRKGAULQSA-N No Yes
5755 Benzyl 6'-O-galloyl-b-D-glucopyranoside Benzyl 6'-O-galloyl-b-D-glucopyranoside Benzyl 6'-O-galloyl-b-D-glucopyranoside C20H22O10 422.121 InChIKey=CJVSZACCCLUFJN-UVNCQSPWSA-N No Yes
5756 Trans-erioaustrasine Trans-erioaustrasine Trans-erioaustrasine C22H25N1O5 383.173 InChIKey=HUTWRNCECFUQMQ-CRRBVOBQSA-N No Yes
5757 Trans-deacetoxyarioaustrasine Trans-deacetoxyarioaustrasine Trans-deacetoxyarioaustrasine C20H23N1O3 325.168 InChIKey=GOAAZKVSWQLRQQ-AJRGADBESA-N No Yes
5758 Trans-deacetoxyaustralasine hydrate Trans-deacetoxyaustralasine hydrate Trans-deacetoxyaustralasine hydrate C20H25N1O4 343.178 InChIKey=ZEHIXFMWFRDDON-AJRGADBESA-N No Yes
5760 Sammangaoside A Sammangaoside A Sammangaoside A C19H32O8 388.210 InChIKey=RIUMIKAUMHZQMP-DBCWZAFBSA-N No Yes
5761 Sammangaoside B Sammangaoside B Sammangaoside B C19H34O8 390.225 InChIKey=HIPZPDCUYJVSFO-QFTWXZDVSA-N No Yes
5762 Melittoside Melittoside Melittoside C21H32O15 524.174 InChIKey=LZKBAGSBRBMVBE-GVKBFFPQSA-N No Yes
5763 Sammangaoside C Sammangaoside C Sammangaoside C C27H42O20 686.227 InChIKey=MZZDDHFFWNQNSE-ZSXGMOSHSA-N No Yes
5764 (1S,4aS,5R,7S,7aS)-7-acetyloxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid (1S,4aS,5R,7S,7aS)-7-acetyloxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid (1S,4aS,5R,7S,7aS)-7-acetyloxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid C27H32O14 580.179 InChIKey=XORDQNURMWOOGO-PFCSMTQLSA-N No Yes
5765 Saletpangponoside A Saletpangponoside A Saletpangponoside A C34H44O19 756.248 InChIKey=HHIBYENHLKOCEO-ATCKIDBWSA-N No Yes
5766 Saletpangponoside B Saletpangponoside B Saletpangponoside B C34H44O19 756.248 InChIKey=HHIBYENHLKOCEO-YXUJBWLHSA-N No Yes
5767 Saletpangponoside C Saletpangponoside C Saletpangponoside C C26H34O13 554.200 InChIKey=XEXWMGIDWXELLE-YWJUEHTLSA-N No Yes
5768 8-O-Acetylmussaenoside 8-O-Acetylmussaenoside 8-O-Acetylmussaenoside C19H28O11 432.163 InChIKey=ALGIRKAUXBGVKF-ATMNGHRSSA-N No Yes
5769 (3R,10bbeta)-Dodecahydro-3alpha-ethenyl-3,4aalpha,7,7,10aalpha-pentamethyl-9H-naphtho[2,1-b]pyran-9beta-ol (3R,10bbeta)-Dodecahydro-3alpha-ethenyl-3,4aalpha,7,7,10aalpha-pentamethyl-9H-naphtho[2,1-b]pyran-9beta-ol (3R,10bbeta)-Dodecahydro-3alpha-ethenyl-3,4aalpha,7,7,10aalpha-pentamethyl-9H-naphtho[2,1-b]pyran-9beta-ol C20H34O2 306.256 InChIKey=YUPMLGNDHOQHCD-VIXLTUGQSA-N No Yes
5770 2b,12b-Dihydroxy-ent-13-epi-manoyl oxide 2b,12b-Dihydroxy-ent-13-epi-manoyl oxide 2b,12b-Dihydroxy-ent-13-epi-manoyl oxide C20H34O3 322.251 InChIKey=XYRWXKGALKDOAP-BJSZOFQCSA-N No Yes
5771 2b,6b-Dihydroxy-ent-13-epi-manoyl oxide 2b,6b-Dihydroxy-ent-13-epi-manoyl oxide 2b,6b-Dihydroxy-ent-13-epi-manoyl oxide C20H34O3 322.251 InChIKey=RKOISLZDTLWETB-BQTRZHDPSA-N No Yes
5772 2b,20-Dihydroxy-ent-13-epi-manoyl oxid 2b,20-Dihydroxy-ent-13-epi-manoyl oxid 2b,20-Dihydroxy-ent-13-epi-manoyl oxid C20H34O3 322.251 InChIKey=YWAUPPLREIGLQF-AKZOJIPFSA-N No Yes
5773 Graphislactone E Graphislactone E Graphislactone E C15H12O7 304.058 InChIKey=VYZSKNNGIBILKL-UHFFFAOYSA-N No Yes
5774 Methyl-1a-acetoxy-7a,14a-dihydroxy-8,15-isopimaradien-18-oate Methyl-1a-acetoxy-7a,14a-dihydroxy-8,15-isopimaradien-18-oate Methyl-1a-acetoxy-7a,14a-dihydroxy-8,15-isopimaradien-18-oate C23H34O6 406.236 InChIKey=IYGOTIYRJHDCQM-DQYLUSJISA-N No Yes
5775 Methyl-1a,14a-diacetoxy-7a-hydroxy-8,15-isopimaradien-18-oate Methyl-1a,14a-diacetoxy-7a-hydroxy-8,15-isopimaradien-18-oate Methyl-1a,14a-diacetoxy-7a-hydroxy-8,15-isopimaradien-18-oate C25H36O7 448.246 InChIKey=KXWKSPNIQYUWFA-WNNBIWPKSA-N No Yes
5776 Thelephantin A Thelephantin A Thelephantin A C29H24O9 516.142 InChIKey=CNDDIRNNJHDZCC-UHFFFAOYSA-N No Yes
5777 Thelephantin B Thelephantin B Thelephantin B C31H28O9 544.173 InChIKey=PVJPNBBVZSBLLI-UHFFFAOYSA-N No Yes
5778 Thelephantin C Thelephantin C Thelephantin C C32H30O9 558.189 InChIKey=IXNCXNGAGCSAMG-UHFFFAOYSA-N No Yes
5779 2-C-methyl-D-erythritol 2-C-methyl-D-erythritol 2-C-methyl-D-erythritol C5H12O4 136.074 InChIKey=HGVJFBSSLICXEM-UHNVWZDZSA-N No Yes
5780 1-O-beta-D-Glucopyranosyl-2-C-methyl-D-erythritol 1-O-beta-D-Glucopyranosyl-2-C-methyl-D-erythritol 1-O-beta-D-Glucopyranosyl-2-C-methyl-D-erythritol C11H22O9 298.126 InChIKey=HIWYPJCJUKLTJM-IKWTUWAXSA-N No Yes
5781 [(1R,2S)-2-Hydroxy-1,2-bis(hydroxymethyl)propyl]beta-D-glucopyranoside [(1R,2S)-2-Hydroxy-1,2-bis(hydroxymethyl)propyl]beta-D-glucopyranoside [(1R,2S)-2-Hydroxy-1,2-bis(hydroxymethyl)propyl]beta-D-glucopyranoside C11H22O9 298.126 InChIKey=XKZOKVHVBVCYHA-LZUHQUESSA-N No Yes
5782 4-O-beta-D-Glucopyranosyl-2-C-methyl-D-erythritol 4-O-beta-D-Glucopyranosyl-2-C-methyl-D-erythritol 4-O-beta-D-Glucopyranosyl-2-C-methyl-D-erythritol C11H22O9 298.126 InChIKey=NPEJBFNVYLECJC-IKWTUWAXSA-N No Yes
5783 [(2S,3R)-2-Methyl-2,3,4-trihydroxybutyl]beta-D-fructofuranoside [(2S,3R)-2-Methyl-2,3,4-trihydroxybutyl]beta-D-fructofuranoside [(2S,3R)-2-Methyl-2,3,4-trihydroxybutyl]beta-D-fructofuranoside C11H22O9 298.126 InChIKey=RROOHAHINGDEJR-UPMLMMEUSA-N No Yes
5784 [(1R,2S)-2-Hydroxy-1,2-bis(hydroxymethyl)propyl]beta-D-fructofuranoside [(1R,2S)-2-Hydroxy-1,2-bis(hydroxymethyl)propyl]beta-D-fructofuranoside [(1R,2S)-2-Hydroxy-1,2-bis(hydroxymethyl)propyl]beta-D-fructofuranoside C11H22O9 298.126 InChIKey=XTWBTVXBNOBRLT-FJCSBZGASA-N No Yes