Mol:FL63AGNN0004
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 34 38 0 0 0 0 0 0 0 0999 V2000 | + | 34 38 0 0 0 0 0 0 0 0999 V2000 |
− | 1.0509 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0509 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3403 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3403 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3703 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3703 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3703 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3703 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3403 -2.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3403 -2.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0509 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0509 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0809 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0809 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7914 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7914 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7914 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7914 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0809 -2.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0809 -2.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0809 -0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0809 -0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3806 -2.8964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3806 -2.8964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7426 -2.9556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7426 -2.9556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7615 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7615 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7615 -0.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7615 -0.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0509 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0509 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3403 -0.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3403 -0.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3806 -0.1475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3806 -0.1475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0509 0.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0509 0.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7326 1.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7326 1.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7326 1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7326 1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0509 2.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0509 2.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3692 1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3692 1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3692 1.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3692 1.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0509 2.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0509 2.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2801 2.1851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2801 2.1851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3687 -0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3687 -0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3687 0.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3687 0.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0809 1.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0809 1.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7930 0.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7930 0.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7930 -0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7930 -0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0809 1.6774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0809 1.6774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3157 0.9367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3157 0.9367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2125 2.2049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2125 2.2049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
− | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
− | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
− | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
− | 7 11 1 1 0 0 0 | + | 7 11 1 1 0 0 0 |
− | 9 12 2 0 0 0 0 | + | 9 12 2 0 0 0 0 |
− | 6 13 1 0 0 0 0 | + | 6 13 1 0 0 0 0 |
− | 1 14 1 0 0 0 0 | + | 1 14 1 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 17 2 1 0 0 0 0 | + | 17 2 1 0 0 0 0 |
− | 15 18 1 6 0 0 0 | + | 15 18 1 6 0 0 0 |
− | 16 19 1 6 0 0 0 | + | 16 19 1 6 0 0 0 |
− | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
− | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
− | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
− | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
− | 11 27 2 0 0 0 0 | + | 11 27 2 0 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
− | 31 11 1 0 0 0 0 | + | 31 11 1 0 0 0 0 |
− | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
− | 30 33 1 0 0 0 0 | + | 30 33 1 0 0 0 0 |
− | 23 34 1 0 0 0 0 | + | 23 34 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL63AGNN0004 | + | ID FL63AGNN0004 |
− | KNApSAcK_ID C00013263 | + | KNApSAcK_ID C00013263 |
− | NAME Apocynin A;(2R,3S,10S)-10-(3,4-Dihydroxyphenyl)-3,4,9,10-tetrahydro-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one | + | NAME Apocynin A;(2R,3S,10S)-10-(3,4-Dihydroxyphenyl)-3,4,9,10-tetrahydro-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one |
− | CAS_RN 246152-21-6 | + | CAS_RN 246152-21-6 |
− | FORMULA C24H20O10 | + | FORMULA C24H20O10 |
− | EXACTMASS 468.10564686 | + | EXACTMASS 468.10564686 |
− | AVERAGEMASS 468.40959999999995 | + | AVERAGEMASS 468.40959999999995 |
− | SMILES c(c1C(c25)CC(=O)Oc2cc(c(c35)CC(C(c(c4)cc(c(O)c(O)4)O)O3)O)O)cc(c(c1)O)O | + | SMILES c(c1C(c25)CC(=O)Oc2cc(c(c35)CC(C(c(c4)cc(c(O)c(O)4)O)O3)O)O)cc(c(c1)O)O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 34 38 0 0 0 0 0 0 0 0999 V2000 1.0509 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3403 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3703 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3703 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3403 -2.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0509 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0809 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7914 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7914 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0809 -2.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0809 -0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3806 -2.8964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7426 -2.9556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7615 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7615 -0.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0509 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3403 -0.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3806 -0.1475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0509 0.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7326 1.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7326 1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0509 2.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3692 1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3692 1.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0509 2.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2801 2.1851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3687 -0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3687 0.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0809 1.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7930 0.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7930 -0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0809 1.6774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3157 0.9367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 2.2049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 7 11 1 1 0 0 0 9 12 2 0 0 0 0 6 13 1 0 0 0 0 1 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 2 1 0 0 0 0 15 18 1 6 0 0 0 16 19 1 6 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 19 1 0 0 0 0 22 25 1 0 0 0 0 21 26 1 0 0 0 0 11 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 11 1 0 0 0 0 29 32 1 0 0 0 0 30 33 1 0 0 0 0 23 34 1 0 0 0 0 S SKP 8 ID FL63AGNN0004 KNApSAcK_ID C00013263 NAME Apocynin A;(2R,3S,10S)-10-(3,4-Dihydroxyphenyl)-3,4,9,10-tetrahydro-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one CAS_RN 246152-21-6 FORMULA C24H20O10 EXACTMASS 468.10564686 AVERAGEMASS 468.40959999999995 SMILES c(c1C(c25)CC(=O)Oc2cc(c(c35)CC(C(c(c4)cc(c(O)c(O)4)O)O3)O)O)cc(c(c1)O)O M END