Mol:FL3FADCS0013
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 |
− | -2.0666 -1.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0666 -1.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0666 -1.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0666 -1.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3522 -2.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3522 -2.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6378 -1.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6378 -1.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6378 -1.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6378 -1.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3522 -0.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3522 -0.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0768 -2.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0768 -2.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7912 -1.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7912 -1.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7912 -1.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7912 -1.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0768 -0.6522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0768 -0.6522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0768 -2.9452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0768 -2.9452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7808 -0.6524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7808 -0.6524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2079 2.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2079 2.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9856 1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9856 1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6556 0.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6556 0.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6468 0.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6468 0.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0517 0.7247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0517 0.7247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4435 1.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4435 1.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6355 3.1267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6355 3.1267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9856 2.5031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9856 2.5031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1075 0.2934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1075 0.2934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3522 -3.1267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3522 -3.1267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6642 -0.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6642 -0.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4170 -0.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4170 -0.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1698 -0.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1698 -0.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1698 0.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1698 0.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4170 0.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4170 0.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6642 0.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6642 0.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9223 0.7838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9223 0.7838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.8538 0.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8538 0.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.3771 0.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3771 0.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6907 0.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6907 0.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0284 0.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0284 0.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5096 1.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5096 1.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1102 0.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1102 0.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.3943 0.5945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3943 0.5945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.9956 0.2774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9956 0.2774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0734 0.1878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0734 0.1878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2820 -1.1620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2820 -1.1620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.3943 -1.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3943 -1.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9249 1.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9249 1.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0073 0.7982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0073 0.7982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.6616 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6616 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.0240 2.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0240 2.2628 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 |
− | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
− | 13 14 1 1 0 0 0 | + | 13 14 1 1 0 0 0 |
− | 14 15 1 1 0 0 0 | + | 14 15 1 1 0 0 0 |
− | 16 15 1 1 0 0 0 | + | 16 15 1 1 0 0 0 |
− | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
− | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
− | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
− | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
− | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
− | 6 16 1 0 0 0 0 | + | 6 16 1 0 0 0 0 |
− | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
− | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
− | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
− | 9 23 1 0 0 0 0 | + | 9 23 1 0 0 0 0 |
− | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
− | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
− | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
− | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
− | 30 36 1 0 0 0 0 | + | 30 36 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 21 1 0 0 0 0 | + | 33 21 1 0 0 0 0 |
− | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
− | 25 39 1 0 0 0 0 | + | 25 39 1 0 0 0 0 |
− | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
− | 18 41 1 0 0 0 0 | + | 18 41 1 0 0 0 0 |
− | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
− | 35 43 1 0 0 0 0 | + | 35 43 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 39 40 | + | M SAL 1 2 39 40 |
− | M SBL 1 1 44 | + | M SBL 1 1 44 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 44 -1.1121 0.6421 | + | M SBV 1 44 -1.1121 0.6421 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 41 42 | + | M SAL 2 2 41 42 |
− | M SBL 2 1 46 | + | M SBL 2 1 46 |
− | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
− | M SBV 2 46 -0.5187 0.1390 | + | M SBV 2 46 -0.5187 0.1390 |
− | M STY 1 3 SUP | + | M STY 1 3 SUP |
− | M SLB 1 3 3 | + | M SLB 1 3 3 |
− | M SAL 3 2 43 44 | + | M SAL 3 2 43 44 |
− | M SBL 3 1 48 | + | M SBL 3 1 48 |
− | M SMT 3 ^ CH2OH | + | M SMT 3 ^ CH2OH |
− | M SBV 3 48 0.5514 -0.5514 | + | M SBV 3 48 0.5514 -0.5514 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL3FADCS0013 | + | ID FL3FADCS0013 |
− | FORMULA C28H32O16 | + | FORMULA C28H32O16 |
− | EXACTMASS 624.1690349759999 | + | EXACTMASS 624.1690349759999 |
− | AVERAGEMASS 624.54408 | + | AVERAGEMASS 624.54408 |
− | SMILES c(c(O)5)cc(cc5OC)C(=C4)Oc(c1C(=O)4)c(C(O2)C(OC(O3)C(O)C(O)C(O)C3CO)C(C(O)C(CO)2)O)c(cc(O)1)O | + | SMILES c(c(O)5)cc(cc5OC)C(=C4)Oc(c1C(=O)4)c(C(O2)C(OC(O3)C(O)C(O)C(O)C3CO)C(C(O)C(CO)2)O)c(cc(O)1)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 -2.0666 -1.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0666 -1.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3522 -2.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6378 -1.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6378 -1.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3522 -0.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0768 -2.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7912 -1.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7912 -1.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0768 -0.6522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0768 -2.9452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7808 -0.6524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2079 2.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9856 1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6556 0.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6468 0.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0517 0.7247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4435 1.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6355 3.1267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9856 2.5031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1075 0.2934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3522 -3.1267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6642 -0.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -0.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1698 -0.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1698 0.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 0.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6642 0.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9223 0.7838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8538 0.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3771 0.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6907 0.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0284 0.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5096 1.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1102 0.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3943 0.5945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9956 0.2774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0734 0.1878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2820 -1.1620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3943 -1.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9249 1.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0073 0.7982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6616 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0240 2.2628 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 1 12 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 1 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 6 16 1 0 0 0 0 3 22 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 9 23 1 0 0 0 0 26 29 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 21 1 0 0 0 0 39 40 1 0 0 0 0 25 39 1 0 0 0 0 41 42 1 0 0 0 0 18 41 1 0 0 0 0 43 44 1 0 0 0 0 35 43 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 39 40 M SBL 1 1 44 M SMT 1 OCH3 M SBV 1 44 -1.1121 0.6421 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 41 42 M SBL 2 1 46 M SMT 2 CH2OH M SBV 2 46 -0.5187 0.1390 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 43 44 M SBL 3 1 48 M SMT 3 ^ CH2OH M SBV 3 48 0.5514 -0.5514 S SKP 5 ID FL3FADCS0013 FORMULA C28H32O16 EXACTMASS 624.1690349759999 AVERAGEMASS 624.54408 SMILES c(c(O)5)cc(cc5OC)C(=C4)Oc(c1C(=O)4)c(C(O2)C(OC(O3)C(O)C(O)C(O)C3CO)C(C(O)C(CO)2)O)c(cc(O)1)O M END