Mol:FL5FACGL0011
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 44 48 0 0 0 0 0 0 0 0999 V2000 | + | 44 48 0 0 0 0 0 0 0 0999 V2000 |
− | -2.5360 -2.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5360 -2.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0440 -2.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0440 -2.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4403 -2.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4403 -2.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3288 -2.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3288 -2.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8208 -1.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8208 -1.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4245 -1.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4245 -1.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7252 -1.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7252 -1.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6136 -1.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6136 -1.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1057 -0.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1057 -0.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7093 -1.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7093 -1.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3414 -2.2164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3414 -2.2164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9942 -0.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9942 -0.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3789 0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3789 0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2653 0.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2653 0.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7668 1.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7668 1.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3820 0.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3820 0.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4957 0.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4957 0.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1394 -2.7731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1394 -2.7731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9485 -3.1593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9485 -3.1593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6907 1.5047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6907 1.5047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2518 -0.3195 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.2518 -0.3195 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 0.9386 -0.8620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.9386 -0.8620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 1.5409 -0.6899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5409 -0.6899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1469 -0.8620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.1469 -0.8620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 2.4602 -0.3195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.4602 -0.3195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 1.8578 -0.4916 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.8578 -0.4916 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 0.7099 -0.3195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7099 -0.3195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9010 0.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9010 0.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1467 -0.5035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1467 -0.5035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6674 -0.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6674 -0.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.7660 0.8828 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.7660 0.8828 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 4.1720 1.2663 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.1720 1.2663 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 3.6760 0.8314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.6760 0.8314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 3.1210 0.6227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.1210 0.6227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 3.6734 0.3647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6734 0.3647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1864 0.7914 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.1864 0.7914 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 5.2376 1.0091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2376 1.0091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0818 1.9265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0818 1.9265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1430 1.2668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1430 1.2668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9830 -0.1600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9830 -0.1600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2443 -1.1669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2443 -1.1669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8833 1.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8833 1.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3936 0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3936 0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.0716 -0.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0716 -0.5934 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 |
− | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
− | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
− | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
− | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
− | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
− | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
− | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
− | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
− | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
− | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
− | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
− | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
− | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
− | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
− | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
− | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
− | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
− | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
− | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
− | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
− | 40 30 1 0 0 0 0 | + | 40 30 1 0 0 0 0 |
− | 22 41 1 0 0 0 0 | + | 22 41 1 0 0 0 0 |
− | 41 8 1 0 0 0 0 | + | 41 8 1 0 0 0 0 |
− | 16 42 1 0 0 0 0 | + | 16 42 1 0 0 0 0 |
− | 36 43 1 0 0 0 0 | + | 36 43 1 0 0 0 0 |
− | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 43 44 | + | M SAL 1 2 43 44 |
− | M SBL 1 1 47 | + | M SBL 1 1 47 |
− | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
− | M SVB 1 47 1.3688 -1.1907 | + | M SVB 1 47 1.3688 -1.1907 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FACGL0011 | + | ID FL5FACGL0011 |
− | KNApSAcK_ID C00005411 | + | KNApSAcK_ID C00005411 |
− | NAME Quercetin 3-gentiobioside | + | NAME Quercetin 3-gentiobioside |
− | CAS_RN 7431-83-6 | + | CAS_RN 7431-83-6 |
− | FORMULA C27H30O17 | + | FORMULA C27H30O17 |
− | EXACTMASS 626.148299534 | + | EXACTMASS 626.148299534 |
− | AVERAGEMASS 626.5169000000001 | + | AVERAGEMASS 626.5169000000001 |
− | SMILES c(c(O)5)cc(cc5O)C(O3)=C(C(c(c(O)4)c(cc(O)c4)3)=O)O[C@H](O1)C(C(O)[C@H]([C@@H](CO[C@@H]([C@H]2O)OC([C@@H]([C@H](O)2)O)CO)1)O)O | + | SMILES c(c(O)5)cc(cc5O)C(O3)=C(C(c(c(O)4)c(cc(O)c4)3)=O)O[C@H](O1)C(C(O)[C@H]([C@@H](CO[C@@H]([C@H]2O)OC([C@@H]([C@H](O)2)O)CO)1)O)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/ 44 48 0 0 0 0 0 0 0 0999 V2000 -2.5360 -2.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 -2.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4403 -2.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3288 -2.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 -1.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4245 -1.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7252 -1.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6136 -1.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1057 -0.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7093 -1.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3414 -2.2164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9942 -0.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3789 0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2653 0.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7668 1.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3820 0.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4957 0.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1394 -2.7731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9485 -3.1593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6907 1.5047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2518 -0.3195 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9386 -0.8620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5409 -0.6899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1469 -0.8620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4602 -0.3195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8578 -0.4916 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7099 -0.3195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9010 0.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1467 -0.5035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6674 -0.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7660 0.8828 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1720 1.2663 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6760 0.8314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1210 0.6227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6734 0.3647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1864 0.7914 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2376 1.0091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0818 1.9265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1430 1.2668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9830 -0.1600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2443 -1.1669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 1.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3936 0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0716 -0.5934 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 4 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 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 20 15 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 24 30 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 34 40 1 0 0 0 0 40 30 1 0 0 0 0 22 41 1 0 0 0 0 41 8 1 0 0 0 0 16 42 1 0 0 0 0 36 43 1 0 0 0 0 43 44 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 43 44 M SBL 1 1 47 M SMT 1 CH2OH M SVB 1 47 1.3688 -1.1907 S SKP 8 ID FL5FACGL0011 KNApSAcK_ID C00005411 NAME Quercetin 3-gentiobioside CAS_RN 7431-83-6 FORMULA C27H30O17 EXACTMASS 626.148299534 AVERAGEMASS 626.5169000000001 SMILES c(c(O)5)cc(cc5O)C(O3)=C(C(c(c(O)4)c(cc(O)c4)3)=O)O[C@H](O1)C(C(O)[C@H]([C@@H](CO[C@@H]([C@H]2O)OC([C@@H]([C@H](O)2)O)CO)1)O)O M END