Mol:FL3FAACS0040
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 47 52 0 0 0 0 0 0 0 0999 V2000 | + | 47 52 0 0 0 0 0 0 0 0999 V2000 |
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− | 2.0059 -0.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0059 -0.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -2.6685 -1.6059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6685 -1.6059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -4.6725 -2.1132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6725 -2.1132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2791 -2.3975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2791 -2.3975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1768 -2.4828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1768 -2.4828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5927 -1.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5927 -1.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 3.5637 -2.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5637 -2.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 3.2919 -1.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2919 -1.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 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 |
− | 23 9 1 0 0 0 0 | + | 23 9 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 2 1 0 0 0 0 | + | 33 2 1 0 0 0 0 |
− | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
− | 40 41 1 1 0 0 0 | + | 40 41 1 1 0 0 0 |
− | 41 42 1 1 0 0 0 | + | 41 42 1 1 0 0 0 |
− | 43 42 1 1 0 0 0 | + | 43 42 1 1 0 0 0 |
− | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
− | 44 39 1 0 0 0 0 | + | 44 39 1 0 0 0 0 |
− | 39 45 1 0 0 0 0 | + | 39 45 1 0 0 0 0 |
− | 44 46 1 0 0 0 0 | + | 44 46 1 0 0 0 0 |
− | 43 47 1 0 0 0 0 | + | 43 47 1 0 0 0 0 |
− | 40 8 1 0 0 0 0 | + | 40 8 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL3FAACS0040 | + | ID FL3FAACS0040 |
− | FORMULA C30H34O17 | + | FORMULA C30H34O17 |
− | EXACTMASS 666.179599662 | + | EXACTMASS 666.179599662 |
− | AVERAGEMASS 666.58076 | + | AVERAGEMASS 666.58076 |
− | SMILES O(C(c(c6O)c(c(c(c64)OC(c(c5)ccc(O)c5)=C(C4=O)C(C3O)OCC(O)C3O)C(O2)C(C(O)C(C2)O)O)O)1)CC(O)C(C1O)O | + | SMILES O(C(c(c6O)c(c(c(c64)OC(c(c5)ccc(O)c5)=C(C4=O)C(C3O)OCC(O)C3O)C(O2)C(C(O)C(C2)O)O)O)1)CC(O)C(C1O)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/ 47 52 0 0 0 0 0 0 0 0999 V2000 -1.6456 -0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6456 -1.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9312 -2.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2167 -1.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2167 -0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9312 -0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4977 -2.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2122 -1.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2122 -0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4977 -0.5656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4977 -2.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3598 -0.5658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3938 1.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0639 0.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 0.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 0.6844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8517 1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0170 3.0403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3938 2.4108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5926 0.3794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9312 -3.0403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0059 -0.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7588 -0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5116 -0.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5116 0.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7588 0.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0059 0.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2641 0.7645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0126 -1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5359 -2.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8494 -2.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1871 -2.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6685 -1.6059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2690 -1.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6725 -2.1132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2791 -2.3975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1768 -2.4828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5927 -1.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0959 -2.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8645 -2.1316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5637 -2.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0605 -1.8787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2919 -1.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0114 -1.6198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 -1.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6725 -2.2320 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 23 9 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 2 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 1 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 43 44 1 0 0 0 0 44 39 1 0 0 0 0 39 45 1 0 0 0 0 44 46 1 0 0 0 0 43 47 1 0 0 0 0 40 8 1 0 0 0 0 S SKP 5 ID FL3FAACS0040 FORMULA C30H34O17 EXACTMASS 666.179599662 AVERAGEMASS 666.58076 SMILES O(C(c(c6O)c(c(c(c64)OC(c(c5)ccc(O)c5)=C(C4=O)C(C3O)OCC(O)C3O)C(O2)C(C(O)C(C2)O)O)O)1)CC(O)C(C1O)O M END