Mol:FL5FAGGL0011
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 45 49 0 0 0 0 0 0 0 0999 V2000 | + | 45 49 0 0 0 0 0 0 0 0999 V2000 |
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− | 2.1047 2.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1047 2.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 3.3778 0.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3778 0.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 3.2865 1.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2865 1.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6019 1.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6019 1.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 2.4128 0.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4128 0.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1327 -0.3929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1327 -0.3929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1822 -0.8370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1822 -0.8370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2810 -0.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2810 -0.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6149 0.5867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6149 0.5867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1922 -0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1922 -0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6490 -0.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6490 -0.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4892 -1.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4892 -1.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5982 -1.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5982 -1.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4120 -2.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4120 -2.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -0.6074 -3.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6074 -3.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0572 -3.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0572 -3.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7275 -3.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7275 -3.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
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− | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
− | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
− | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
− | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
− | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
− | 7 20 2 0 0 0 0 | + | 7 20 2 0 0 0 0 |
− | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
− | 5 22 1 0 0 0 0 | + | 5 22 1 0 0 0 0 |
− | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
− | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
− | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
− | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
− | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
− | 26 34 1 0 0 0 0 | + | 26 34 1 0 0 0 0 |
− | 18 27 1 0 0 0 0 | + | 18 27 1 0 0 0 0 |
− | 31 35 1 0 0 0 0 | + | 31 35 1 0 0 0 0 |
− | 35 36 2 0 0 0 0 | + | 35 36 2 0 0 0 0 |
− | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
− | 37 38 2 0 0 0 0 | + | 37 38 2 0 0 0 0 |
− | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
− | 39 40 2 0 0 0 0 | + | 39 40 2 0 0 0 0 |
− | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
− | 41 42 2 0 0 0 0 | + | 41 42 2 0 0 0 0 |
− | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
− | 43 44 2 0 0 0 0 | + | 43 44 2 0 0 0 0 |
− | 44 39 1 0 0 0 0 | + | 44 39 1 0 0 0 0 |
− | 42 45 1 0 0 0 0 | + | 42 45 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FAGGL0011 | + | ID FL5FAGGL0011 |
− | KNApSAcK_ID C00011175 | + | KNApSAcK_ID C00011175 |
− | NAME Myricetin 3'-O-(6''-p-coumaroyl)glucoside | + | NAME Myricetin 3'-O-(6''-p-coumaroyl)glucoside |
− | CAS_RN 603136-05-6 | + | CAS_RN 603136-05-6 |
− | FORMULA C30H26O15 | + | FORMULA C30H26O15 |
− | EXACTMASS 626.127170162 | + | EXACTMASS 626.127170162 |
− | AVERAGEMASS 626.51844 | + | AVERAGEMASS 626.51844 |
− | SMILES c(C(=O)4)(c(O)5)c(cc(c5)O)OC(=C(O)4)c(c3)cc(c(c3O)O)OC(C(O)2)OC(C(O)C(O)2)COC(C=Cc(c1)ccc(O)c1)=O | + | SMILES c(C(=O)4)(c(O)5)c(cc(c5)O)OC(=C(O)4)c(c3)cc(c(c3O)O)OC(C(O)2)OC(C(O)C(O)2)COC(C=Cc(c1)ccc(O)c1)=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 45 49 0 0 0 0 0 0 0 0999 V2000 -2.2728 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5668 1.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5668 1.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2728 2.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9788 1.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9788 1.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8608 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1548 1.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1548 1.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8608 2.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6732 2.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3889 1.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1047 2.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1047 3.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3889 3.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6732 3.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6941 3.5302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7025 2.0183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4341 0.7301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8608 -0.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2728 -0.1634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6149 2.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3889 4.2597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6933 -0.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3778 0.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1146 0.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2865 1.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6019 1.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8651 0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4128 0.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1327 -0.3929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1822 -0.8370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2810 -0.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6149 0.5867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1922 -0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6490 -0.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4892 -1.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5982 -1.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -2.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3728 -2.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6074 -3.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0572 -3.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7275 -3.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9622 -2.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2176 -4.2597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 3 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 13 18 1 0 0 0 0 8 19 1 0 0 0 0 7 20 2 0 0 0 0 1 21 1 0 0 0 0 5 22 1 0 0 0 0 15 23 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 24 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 26 34 1 0 0 0 0 18 27 1 0 0 0 0 31 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 39 1 0 0 0 0 42 45 1 0 0 0 0 S SKP 8 ID FL5FAGGL0011 KNApSAcK_ID C00011175 NAME Myricetin 3'-O-(6''-p-coumaroyl)glucoside CAS_RN 603136-05-6 FORMULA C30H26O15 EXACTMASS 626.127170162 AVERAGEMASS 626.51844 SMILES c(C(=O)4)(c(O)5)c(cc(c5)O)OC(=C(O)4)c(c3)cc(c(c3O)O)OC(C(O)2)OC(C(O)C(O)2)COC(C=Cc(c1)ccc(O)c1)=O M END