Mol:FL5FACGL0072
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
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− | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
− | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
− | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
− | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
− | 26 20 1 0 0 0 0 | + | 26 20 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
− | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
− | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
− | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
− | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
− | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
− | 36 39 1 0 0 0 0 | + | 36 39 1 0 0 0 0 |
− | 33 31 1 0 0 0 0 | + | 33 31 1 0 0 0 0 |
− | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
− | 41 32 1 0 0 0 0 | + | 41 32 1 0 0 0 0 |
− | 40 42 2 0 0 0 0 | + | 40 42 2 0 0 0 0 |
− | 40 43 1 0 0 0 0 | + | 40 43 1 0 0 0 0 |
− | 43 44 2 0 0 0 0 | + | 43 44 2 0 0 0 0 |
− | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
− | 45 46 2 0 0 0 0 | + | 45 46 2 0 0 0 0 |
− | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
− | 47 48 2 0 0 0 0 | + | 47 48 2 0 0 0 0 |
− | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
− | 49 50 2 0 0 0 0 | + | 49 50 2 0 0 0 0 |
− | 50 45 1 0 0 0 0 | + | 50 45 1 0 0 0 0 |
− | 48 51 1 0 0 0 0 | + | 48 51 1 0 0 0 0 |
− | 53 52 1 1 0 0 0 | + | 53 52 1 1 0 0 0 |
− | 53 54 1 0 0 0 0 | + | 53 54 1 0 0 0 0 |
− | 54 55 1 0 0 0 0 | + | 54 55 1 0 0 0 0 |
− | 55 56 1 0 0 0 0 | + | 55 56 1 0 0 0 0 |
− | 56 57 1 1 0 0 0 | + | 56 57 1 1 0 0 0 |
− | 57 52 1 1 0 0 0 | + | 57 52 1 1 0 0 0 |
− | 56 58 1 0 0 0 0 | + | 56 58 1 0 0 0 0 |
− | 55 59 1 0 0 0 0 | + | 55 59 1 0 0 0 0 |
− | 54 60 1 0 0 0 0 | + | 54 60 1 0 0 0 0 |
− | 18 53 1 0 0 0 0 | + | 18 53 1 0 0 0 0 |
− | 61 62 1 0 0 0 0 | + | 61 62 1 0 0 0 0 |
− | 28 61 1 0 0 0 0 | + | 28 61 1 0 0 0 0 |
− | 63 64 1 0 0 0 0 | + | 63 64 1 0 0 0 0 |
− | 57 63 1 0 0 0 0 | + | 57 63 1 0 0 0 0 |
− | 65 66 1 0 0 0 0 | + | 65 66 1 0 0 0 0 |
− | 47 65 1 0 0 0 0 | + | 47 65 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 61 62 | + | M SAL 1 2 61 62 |
− | M SBL 1 1 68 | + | M SBL 1 1 68 |
− | M SMT 1 ^ CH2OH | + | M SMT 1 ^ CH2OH |
− | M SBV 1 68 0.6969 0.2753 | + | M SBV 1 68 0.6969 0.2753 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 63 64 | + | M SAL 2 2 63 64 |
− | M SBL 2 1 70 | + | M SBL 2 1 70 |
− | M SMT 2 ^ CH2OH | + | M SMT 2 ^ CH2OH |
− | M SBV 2 70 0.5167 -0.4853 | + | M SBV 2 70 0.5167 -0.4853 |
− | M STY 1 3 SUP | + | M STY 1 3 SUP |
− | M SLB 1 3 3 | + | M SLB 1 3 3 |
− | M SAL 3 2 65 66 | + | M SAL 3 2 65 66 |
− | M SBL 3 1 72 | + | M SBL 3 1 72 |
− | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
− | M SBV 3 72 -0.1454 0.4802 | + | M SBV 3 72 -0.1454 0.4802 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FACGL0072 | + | ID FL5FACGL0072 |
− | FORMULA C42H46O24 | + | FORMULA C42H46O24 |
− | EXACTMASS 934.2379024 | + | EXACTMASS 934.2379024 |
− | AVERAGEMASS 934.8002399999999 | + | AVERAGEMASS 934.8002399999999 |
− | SMILES C(C7O)(C(OCC7O)OC(C2OC(C(=O)4)=C(Oc(c5)c4c(cc5OC(C(O)6)OC(C(O)C6O)CO)O)c(c3)ccc(O)c3O)C(C(O)C(O2)CO)O)OC(C=Cc(c1)cc(c(O)c1)OC)=O | + | SMILES C(C7O)(C(OCC7O)OC(C2OC(C(=O)4)=C(Oc(c5)c4c(cc5OC(C(O)6)OC(C(O)C6O)CO)O)c(c3)ccc(O)c3O)C(C(O)C(O2)CO)O)OC(C=Cc(c1)cc(c(O)c1)OC)=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/ 66 72 0 0 0 0 0 0 0 0999 V2000 -3.1562 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1562 -0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4415 -0.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7267 -0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7267 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4415 0.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 -0.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2973 -0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2973 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 0.9541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 -1.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4171 0.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1454 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8739 0.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8739 1.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1454 2.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4171 1.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7881 0.9540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6021 2.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -0.7835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4415 -1.5215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1454 3.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7234 -3.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0244 -2.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0113 -2.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3622 -1.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4581 -1.8581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3857 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6588 -3.9603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1172 -3.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7373 -1.9312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6747 -2.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 -2.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5995 -3.1474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0014 -3.8682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7943 -3.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0767 -3.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9059 -3.2945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1700 -4.2448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7482 -1.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2303 -2.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3808 -0.8530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4228 -1.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7145 -0.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2974 -0.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6478 -1.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3488 -1.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6993 -0.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3488 -0.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6478 -0.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3988 -0.9843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3115 2.0080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5819 1.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8134 2.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5819 3.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3115 3.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0801 2.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0568 4.2448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5776 3.7606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2962 1.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0825 -2.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2392 -3.4888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5969 3.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5500 2.4468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4942 -2.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5500 -2.1641 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 1 18 1 0 0 0 0 15 19 1 0 0 0 0 8 20 1 0 0 0 0 3 21 1 0 0 0 0 16 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 26 20 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 37 38 1 0 0 0 0 36 39 1 0 0 0 0 33 31 1 0 0 0 0 40 41 1 0 0 0 0 41 32 1 0 0 0 0 40 42 2 0 0 0 0 40 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 45 1 0 0 0 0 48 51 1 0 0 0 0 53 52 1 1 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 1 0 0 0 57 52 1 1 0 0 0 56 58 1 0 0 0 0 55 59 1 0 0 0 0 54 60 1 0 0 0 0 18 53 1 0 0 0 0 61 62 1 0 0 0 0 28 61 1 0 0 0 0 63 64 1 0 0 0 0 57 63 1 0 0 0 0 65 66 1 0 0 0 0 47 65 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 61 62 M SBL 1 1 68 M SMT 1 ^ CH2OH M SBV 1 68 0.6969 0.2753 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 63 64 M SBL 2 1 70 M SMT 2 ^ CH2OH M SBV 2 70 0.5167 -0.4853 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 65 66 M SBL 3 1 72 M SMT 3 OCH3 M SBV 3 72 -0.1454 0.4802 S SKP 5 ID FL5FACGL0072 FORMULA C42H46O24 EXACTMASS 934.2379024 AVERAGEMASS 934.8002399999999 SMILES C(C7O)(C(OCC7O)OC(C2OC(C(=O)4)=C(Oc(c5)c4c(cc5OC(C(O)6)OC(C(O)C6O)CO)O)c(c3)ccc(O)c3O)C(C(O)C(O2)CO)O)OC(C=Cc(c1)cc(c(O)c1)OC)=O M END