Mol:FL5FABGI0022
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 62 67 0 0 0 0 0 0 0 0999 V2000 | + | 62 67 0 0 0 0 0 0 0 0999 V2000 |
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− | 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 18 1 0 0 0 0 | + | 34 18 1 0 0 0 0 |
− | 6 40 1 0 0 0 0 | + | 6 40 1 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 |
− | 42 44 1 0 0 0 0 | + | 42 44 1 0 0 0 0 |
− | 46 45 1 1 0 0 0 | + | 46 45 1 1 0 0 0 |
− | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
− | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
− | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
− | 49 50 1 1 0 0 0 | + | 49 50 1 1 0 0 0 |
− | 50 45 1 1 0 0 0 | + | 50 45 1 1 0 0 0 |
− | 49 51 1 0 0 0 0 | + | 49 51 1 0 0 0 0 |
− | 48 52 1 0 0 0 0 | + | 48 52 1 0 0 0 0 |
− | 50 53 1 0 0 0 0 | + | 50 53 1 0 0 0 0 |
− | 47 54 1 0 0 0 0 | + | 47 54 1 0 0 0 0 |
− | 46 28 1 0 0 0 0 | + | 46 28 1 0 0 0 0 |
− | 53 55 1 0 0 0 0 | + | 53 55 1 0 0 0 0 |
− | 55 56 1 0 0 0 0 | + | 55 56 1 0 0 0 0 |
− | 56 57 2 0 0 0 0 | + | 56 57 2 0 0 0 0 |
− | 56 58 1 0 0 0 0 | + | 56 58 1 0 0 0 0 |
− | 59 60 1 0 0 0 0 | + | 59 60 1 0 0 0 0 |
− | 15 59 1 0 0 0 0 | + | 15 59 1 0 0 0 0 |
− | 61 62 1 0 0 0 0 | + | 61 62 1 0 0 0 0 |
− | 36 61 1 0 0 0 0 | + | 36 61 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 59 60 | + | M SAL 1 2 59 60 |
− | M SBL 1 1 65 | + | M SBL 1 1 65 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 65 -0.6185 -0.5545 | + | M SBV 1 65 -0.6185 -0.5545 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 61 62 | + | M SAL 2 2 61 62 |
− | M SBL 2 1 67 | + | M SBL 2 1 67 |
− | M SMT 2 ^CH2OH | + | M SMT 2 ^CH2OH |
− | M SBV 2 67 0.6756 -0.6143 | + | M SBV 2 67 0.6756 -0.6143 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FABGI0022 | + | ID FL5FABGI0022 |
− | FORMULA C41H52O21 | + | FORMULA C41H52O21 |
− | EXACTMASS 880.300108726 | + | EXACTMASS 880.300108726 |
− | AVERAGEMASS 880.83898 | + | AVERAGEMASS 880.83898 |
− | SMILES C(C1O)(O)C(O)C(Oc(c2)c(CC=C(C)C)c(O5)c(C(=O)C(=C(c(c6)ccc(c6)OC)5)OC(C(O)3)OC(C(O)C3OC(C4O)OC(COC(C)=O)C(O)C4O)C)c(O)2)OC1CO | + | SMILES C(C1O)(O)C(O)C(Oc(c2)c(CC=C(C)C)c(O5)c(C(=O)C(=C(c(c6)ccc(c6)OC)5)OC(C(O)3)OC(C(O)C3OC(C4O)OC(COC(C)=O)C(O)C4O)C)c(O)2)OC1CO |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 62 67 0 0 0 0 0 0 0 0999 V2000 -1.3888 1.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3888 0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6741 0.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0407 0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0407 1.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6741 1.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7555 0.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4702 0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4702 1.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7555 1.6863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7555 -0.6078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3703 1.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0988 1.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8271 1.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8271 2.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0988 3.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3703 2.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2426 1.7666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6741 -0.6873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2204 -0.0513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9370 -1.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6249 -1.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4067 -1.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6249 -0.2816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9370 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1553 -0.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9988 -0.6481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0396 -2.0414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5245 -2.4529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9017 -1.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7668 1.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2899 1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6031 1.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9404 1.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4219 1.9176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0227 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3637 1.5324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9494 1.2066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0624 1.0129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6741 2.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3886 2.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3886 3.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6741 4.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1031 4.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9862 -2.4962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3302 -1.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 -2.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0034 -1.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 -2.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3208 -2.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7912 -3.0935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3913 -2.0271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0853 -2.7376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9713 -1.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6704 -3.4846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4356 -3.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8676 -2.7363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8264 -4.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4457 3.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3637 2.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6984 2.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6745 1.9403 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 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 4 3 1 0 0 0 0 1 18 1 0 0 0 0 19 3 1 0 0 0 0 8 20 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 26 21 1 1 0 0 0 26 27 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 25 20 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 18 1 0 0 0 0 6 40 1 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 42 44 1 0 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 1 0 0 0 50 45 1 1 0 0 0 49 51 1 0 0 0 0 48 52 1 0 0 0 0 50 53 1 0 0 0 0 47 54 1 0 0 0 0 46 28 1 0 0 0 0 53 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 56 58 1 0 0 0 0 59 60 1 0 0 0 0 15 59 1 0 0 0 0 61 62 1 0 0 0 0 36 61 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 59 60 M SBL 1 1 65 M SMT 1 OCH3 M SBV 1 65 -0.6185 -0.5545 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 61 62 M SBL 2 1 67 M SMT 2 ^CH2OH M SBV 2 67 0.6756 -0.6143 S SKP 5 ID FL5FABGI0022 FORMULA C41H52O21 EXACTMASS 880.300108726 AVERAGEMASS 880.83898 SMILES C(C1O)(O)C(O)C(Oc(c2)c(CC=C(C)C)c(O5)c(C(=O)C(=C(c(c6)ccc(c6)OC)5)OC(C(O)3)OC(C(O)C3OC(C4O)OC(COC(C)=O)C(O)C4O)C)c(O)2)OC1CO M END