Mol:FL5FCBGL0002
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | 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 |
− | -3.0349 1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0349 1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0349 1.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0349 1.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4786 0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4786 0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9223 1.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9223 1.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9223 1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9223 1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4786 2.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4786 2.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3660 0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3660 0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8097 1.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8097 1.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8097 1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8097 1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3660 2.2684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3660 2.2684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3660 0.4829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3660 0.4829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2536 2.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2536 2.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3133 1.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3133 1.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8803 2.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8803 2.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8803 2.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8803 2.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3133 3.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3133 3.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2536 2.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2536 2.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1616 0.7546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1616 0.7546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8838 1.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8838 1.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4962 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4962 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2416 0.7876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2416 0.7876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9916 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9916 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3793 1.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3793 1.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6338 1.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6338 1.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1567 1.0512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1567 1.0512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9026 1.4986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9026 1.4986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8656 1.1157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8656 1.1157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4786 0.3416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4786 0.3416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6205 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6205 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9661 -0.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9661 -0.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9257 -0.7959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9257 -0.7959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5908 -0.7959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5908 -0.7959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3069 -1.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3069 -1.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3069 -1.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3069 -1.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6754 -2.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6754 -2.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1119 -1.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1119 -1.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5483 -2.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5483 -2.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5483 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5483 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1119 -3.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1119 -3.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6754 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6754 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0150 -3.2502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0150 -3.2502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5908 2.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5908 2.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7939 2.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7939 2.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4471 3.2503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4471 3.2503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1616 2.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1616 2.8378 0.0000 C 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 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
− | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
− | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
− | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
− | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
− | 20 18 1 0 0 0 0 | + | 20 18 1 0 0 0 0 |
− | 18 8 1 0 0 0 0 | + | 18 8 1 0 0 0 0 |
− | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
− | 3 28 1 0 0 0 0 | + | 3 28 1 0 0 0 0 |
− | 22 29 1 0 0 0 0 | + | 22 29 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 |
− | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
− | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
− | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 35 36 2 0 0 0 0 | + | 35 36 2 0 0 0 0 |
− | 36 37 1 0 0 0 0 | + | 36 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 35 1 0 0 0 0 | + | 40 35 1 0 0 0 0 |
− | 38 41 1 0 0 0 0 | + | 38 41 1 0 0 0 0 |
− | 1 42 1 0 0 0 0 | + | 1 42 1 0 0 0 0 |
− | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
− | 15 44 1 0 0 0 0 | + | 15 44 1 0 0 0 0 |
− | 44 45 1 0 0 0 0 | + | 44 45 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 42 43 | + | M SAL 1 2 42 43 |
− | M SBL 1 1 46 | + | M SBL 1 1 46 |
− | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
− | M SBV 1 46 -5.9998 7.9947 | + | M SBV 1 46 -5.9998 7.9947 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 44 45 | + | M SAL 2 2 44 45 |
− | M SBL 2 1 48 | + | M SBL 2 1 48 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SBV 2 48 -4.8771 7.7401 | + | M SBV 2 48 -4.8771 7.7401 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FCBGL0002 | + | ID FL5FCBGL0002 |
− | KNApSAcK_ID C00005933 | + | KNApSAcK_ID C00005933 |
− | NAME Kaempferol 7,4'-dimethyl ether 3-(6''-(E)-p-coumarylglucoside) | + | NAME Kaempferol 7,4'-dimethyl ether 3-(6''-(E)-p-coumarylglucoside) |
− | CAS_RN - | + | CAS_RN - |
− | FORMULA C32H30O13 | + | FORMULA C32H30O13 |
− | EXACTMASS 622.168641046 | + | EXACTMASS 622.168641046 |
− | AVERAGEMASS 622.5728 | + | AVERAGEMASS 622.5728 |
− | SMILES OC(C(O)2)C(OC(C4=O)=C(c(c5)ccc(c5)OC)Oc(c43)cc(cc3O)OC)OC(C2O)COC(C=Cc(c1)ccc(c1)O)=O | + | SMILES OC(C(O)2)C(OC(C4=O)=C(c(c5)ccc(c5)OC)Oc(c43)cc(cc3O)OC)OC(C2O)COC(C=Cc(c1)ccc(c1)O)=O |
M END | M END | ||
− |
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 -3.0349 1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0349 1.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4786 0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9223 1.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9223 1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4786 2.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8097 1.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8097 1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 2.2684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 0.4829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2536 2.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3133 1.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8803 2.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8803 2.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3133 3.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2536 2.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1616 0.7546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 1.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4962 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2416 0.7876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9916 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3793 1.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6338 1.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1567 1.0512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9026 1.4986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8656 1.1157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4786 0.3416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6205 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9661 -0.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9257 -0.7959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5908 -0.7959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3069 -1.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3069 -1.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6754 -2.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1119 -1.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5483 -2.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5483 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1119 -3.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6754 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -3.2502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5908 2.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7939 2.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4471 3.2503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1616 2.8378 0.0000 C 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 19 20 1 0 0 0 0 20 21 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 24 26 1 0 0 0 0 23 27 1 0 0 0 0 20 18 1 0 0 0 0 18 8 1 0 0 0 0 22 21 1 1 0 0 0 3 28 1 0 0 0 0 22 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 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 35 1 0 0 0 0 38 41 1 0 0 0 0 1 42 1 0 0 0 0 42 43 1 0 0 0 0 15 44 1 0 0 0 0 44 45 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 42 43 M SBL 1 1 46 M SMT 1 ^OCH3 M SBV 1 46 -5.9998 7.9947 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 44 45 M SBL 2 1 48 M SMT 2 OCH3 M SBV 2 48 -4.8771 7.7401 S SKP 8 ID FL5FCBGL0002 KNApSAcK_ID C00005933 NAME Kaempferol 7,4'-dimethyl ether 3-(6''-(E)-p-coumarylglucoside) CAS_RN - FORMULA C32H30O13 EXACTMASS 622.168641046 AVERAGEMASS 622.5728 SMILES OC(C(O)2)C(OC(C4=O)=C(c(c5)ccc(c5)OC)Oc(c43)cc(cc3O)OC)OC(C2O)COC(C=Cc(c1)ccc(c1)O)=O M END