Mol:FL5FGCGA0002
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 58 63 0 0 0 0 0 0 0 0999 V2000 | + | 58 63 0 0 0 0 0 0 0 0999 V2000 |
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− | 1.6022 -1.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6022 -1.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 2.2057 0.6785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2057 0.6785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -2.2598 -0.2969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2598 -0.2969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5121 -3.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5121 -3.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9246 -3.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9246 -3.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3445 -2.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3445 -2.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1290 -1.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1290 -1.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7164 -2.5729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7164 -2.5729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2965 -3.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2965 -3.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5521 -1.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5521 -1.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1382 -4.0335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1382 -4.0335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 2.5868 -1.4195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5868 -1.4195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
− | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
− | 28 29 1 1 0 0 0 | + | 28 29 1 1 0 0 0 |
− | 30 29 1 1 0 0 0 | + | 30 29 1 1 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 32 27 1 0 0 0 0 | + | 32 27 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 30 34 1 0 0 0 0 | + | 30 34 1 0 0 0 0 |
− | 28 58 1 0 0 0 0 | + | 28 58 1 0 0 0 0 |
− | 29 35 1 0 0 0 0 | + | 29 35 1 0 0 0 0 |
− | 27 36 1 0 0 0 0 | + | 27 36 1 0 0 0 0 |
− | 33 44 1 0 0 0 0 | + | 33 44 1 0 0 0 0 |
− | 37 38 1 1 0 0 0 | + | 37 38 1 1 0 0 0 |
− | 38 39 1 1 0 0 0 | + | 38 39 1 1 0 0 0 |
− | 40 39 1 1 0 0 0 | + | 40 39 1 1 0 0 0 |
− | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
− | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
− | 42 37 1 0 0 0 0 | + | 42 37 1 0 0 0 0 |
− | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
− | 40 44 1 0 0 0 0 | + | 40 44 1 0 0 0 0 |
− | 38 45 1 0 0 0 0 | + | 38 45 1 0 0 0 0 |
− | 39 46 1 0 0 0 0 | + | 39 46 1 0 0 0 0 |
− | 37 47 1 0 0 0 0 | + | 37 47 1 0 0 0 0 |
− | 43 48 1 0 0 0 0 | + | 43 48 1 0 0 0 0 |
− | 49 50 1 1 0 0 0 | + | 49 50 1 1 0 0 0 |
− | 50 51 1 1 0 0 0 | + | 50 51 1 1 0 0 0 |
− | 52 51 1 1 0 0 0 | + | 52 51 1 1 0 0 0 |
− | 52 53 1 0 0 0 0 | + | 52 53 1 0 0 0 0 |
− | 53 54 1 0 0 0 0 | + | 53 54 1 0 0 0 0 |
− | 54 49 1 0 0 0 0 | + | 54 49 1 0 0 0 0 |
− | 51 55 1 0 0 0 0 | + | 51 55 1 0 0 0 0 |
− | 50 56 1 0 0 0 0 | + | 50 56 1 0 0 0 0 |
− | 49 57 1 0 0 0 0 | + | 49 57 1 0 0 0 0 |
− | 52 58 1 0 0 0 0 | + | 52 58 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FGCGA0002 | + | ID FL5FGCGA0002 |
− | FORMULA C35H44O23 | + | FORMULA C35H44O23 |
− | EXACTMASS 832.227337714 | + | EXACTMASS 832.227337714 |
− | AVERAGEMASS 832.71006 | + | AVERAGEMASS 832.71006 |
− | SMILES C(=C2c(c6)ccc(c6OC)O)(OC(C(O)4)OC(C(O)C(OC(O5)C(O)C(O)C(O)C5)4)COC(C3O)OC(C(C3O)O)CO)C(=O)c(c(O)1)c(O2)c(OC)c(c1OC)O | + | SMILES C(=C2c(c6)ccc(c6OC)O)(OC(C(O)4)OC(C(O)C(OC(O5)C(O)C(O)C(O)C5)4)COC(C3O)OC(C(C3O)O)CO)C(=O)c(c(O)1)c(O2)c(OC)c(c1OC)O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 58 63 0 0 0 0 0 0 0 0999 V2000 -1.2803 2.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2803 1.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5658 1.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1487 1.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1487 2.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5658 2.8180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9947 2.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7092 2.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7092 1.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9947 1.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5658 0.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8631 2.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5776 2.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2921 2.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2921 3.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5776 4.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8631 3.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0066 4.0555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0066 2.4055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9947 3.6391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4237 2.8180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4237 1.1680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9947 0.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7210 2.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1382 1.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7092 4.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9608 -1.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3733 -0.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7932 -0.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5776 0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1651 0.0411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 -0.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6022 -1.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8631 1.1680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2057 0.6785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4746 -1.3797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9545 -1.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3712 -1.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6544 -1.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1659 -1.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4174 -0.6767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1342 -1.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6117 -0.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7713 -0.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 -1.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -1.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9512 -0.6930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2598 -0.2969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5121 -3.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9246 -3.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3445 -2.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1290 -1.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7164 -2.5729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2965 -3.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5521 -1.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1382 -4.0335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0465 -4.0555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5868 -1.4195 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 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 2 1 0 0 0 0 3 11 2 0 0 0 0 5 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 15 18 1 0 0 0 0 14 19 1 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 4 34 1 0 0 0 0 19 24 1 0 0 0 0 22 25 1 0 0 0 0 20 26 1 0 0 0 0 27 28 1 1 0 0 0 28 29 1 1 0 0 0 30 29 1 1 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 27 1 0 0 0 0 32 33 1 0 0 0 0 30 34 1 0 0 0 0 28 58 1 0 0 0 0 29 35 1 0 0 0 0 27 36 1 0 0 0 0 33 44 1 0 0 0 0 37 38 1 1 0 0 0 38 39 1 1 0 0 0 40 39 1 1 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 37 1 0 0 0 0 42 43 1 0 0 0 0 40 44 1 0 0 0 0 38 45 1 0 0 0 0 39 46 1 0 0 0 0 37 47 1 0 0 0 0 43 48 1 0 0 0 0 49 50 1 1 0 0 0 50 51 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 49 1 0 0 0 0 51 55 1 0 0 0 0 50 56 1 0 0 0 0 49 57 1 0 0 0 0 52 58 1 0 0 0 0 S SKP 5 ID FL5FGCGA0002 FORMULA C35H44O23 EXACTMASS 832.227337714 AVERAGEMASS 832.71006 SMILES C(=C2c(c6)ccc(c6OC)O)(OC(C(O)4)OC(C(O)C(OC(O5)C(O)C(O)C(O)C5)4)COC(C3O)OC(C(C3O)O)CO)C(=O)c(c(O)1)c(O2)c(OC)c(c1OC)O M END