Mol:FL5FAAGS0131
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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− | 44 45 1 1 0 0 0 | + | 44 45 1 1 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 43 1 0 0 0 0 | + | 48 43 1 0 0 0 0 |
− | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
− | 49 50 1 0 0 0 0 | + | 49 50 1 0 0 0 0 |
− | 44 51 1 0 0 0 0 | + | 44 51 1 0 0 0 0 |
− | 45 52 1 0 0 0 0 | + | 45 52 1 0 0 0 0 |
− | 46 39 1 0 0 0 0 | + | 46 39 1 0 0 0 0 |
− | 53 54 1 0 0 0 0 | + | 53 54 1 0 0 0 0 |
− | 54 55 2 0 0 0 0 | + | 54 55 2 0 0 0 0 |
− | 54 56 1 0 0 0 0 | + | 54 56 1 0 0 0 0 |
− | 56 57 2 0 0 0 0 | + | 56 57 2 0 0 0 0 |
− | 57 58 1 0 0 0 0 | + | 57 58 1 0 0 0 0 |
− | 58 59 2 0 0 0 0 | + | 58 59 2 0 0 0 0 |
− | 59 60 1 0 0 0 0 | + | 59 60 1 0 0 0 0 |
− | 60 61 2 0 0 0 0 | + | 60 61 2 0 0 0 0 |
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− | 61 64 1 0 0 0 0 | + | 61 64 1 0 0 0 0 |
− | 53 43 1 0 0 0 0 | + | 53 43 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FAAGS0131 | + | ID FL5FAAGS0131 |
− | FORMULA C42H46O22 | + | FORMULA C42H46O22 |
− | EXACTMASS 902.248073156 | + | EXACTMASS 902.248073156 |
− | AVERAGEMASS 902.80144 | + | AVERAGEMASS 902.80144 |
− | SMILES C(O3)(c(c7)ccc(c7)O)=C(OC(C(OC(C(O)5)OC(C(OC(=O)C=Cc(c6)ccc(O)c6)C5O)CO)4)OC(C(O)C4O)C)C(c(c23)c(O)cc(c2)OC(O1)C(O)C(O)C(C1CO)O)=O | + | SMILES C(O3)(c(c7)ccc(c7)O)=C(OC(C(OC(C(O)5)OC(C(OC(=O)C=Cc(c6)ccc(O)c6)C5O)CO)4)OC(C(O)C4O)C)C(c(c23)c(O)cc(c2)OC(O1)C(O)C(O)C(C1CO)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/ 64 70 0 0 0 0 0 0 0 0999 V2000 2.8020 4.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8020 3.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5164 3.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2308 3.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2308 4.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5164 5.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 3.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 3.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6586 3.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6586 2.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 2.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 2.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0558 3.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7703 3.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7703 2.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0558 2.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 1.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4848 3.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7651 2.2481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8315 5.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0558 1.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2466 4.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8340 3.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0357 4.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2422 3.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6547 4.4894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4531 4.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7531 4.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3980 4.8737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8315 4.2494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4463 3.8850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5870 3.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8777 1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8008 0.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4274 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2402 0.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3172 1.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6905 1.1482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4288 0.1610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2275 -0.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2641 0.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2881 0.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1553 -2.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9672 -2.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0386 -1.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5191 -0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7073 -0.7115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6357 -1.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0944 -1.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 -2.3616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6781 -2.7246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8738 -0.8905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2128 -3.0119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7229 -3.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1388 -4.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 -3.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4871 -4.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3368 -4.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7493 -3.7289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5742 -3.7289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9867 -4.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5742 -5.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7493 -5.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8106 -4.4433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 5 20 1 0 0 0 0 16 21 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 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 18 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 36 39 1 0 0 0 0 35 40 1 0 0 0 0 34 41 1 0 0 0 0 33 42 1 0 0 0 0 37 19 1 0 0 0 0 43 44 1 1 0 0 0 44 45 1 1 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 43 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 44 51 1 0 0 0 0 45 52 1 0 0 0 0 46 39 1 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 54 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 59 60 1 0 0 0 0 60 61 2 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 63 58 1 0 0 0 0 61 64 1 0 0 0 0 53 43 1 0 0 0 0 S SKP 5 ID FL5FAAGS0131 FORMULA C42H46O22 EXACTMASS 902.248073156 AVERAGEMASS 902.80144 SMILES C(O3)(c(c7)ccc(c7)O)=C(OC(C(OC(C(O)5)OC(C(OC(=O)C=Cc(c6)ccc(O)c6)C5O)CO)4)OC(C(O)C4O)C)C(c(c23)c(O)cc(c2)OC(O1)C(O)C(O)C(C1CO)O)=O M END