Mol:FL5FADGA0002
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 43 47 0 0 0 0 0 0 0 0999 V2000 | + | 43 47 0 0 0 0 0 0 0 0999 V2000 |
− | -2.8578 0.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8578 0.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8578 -0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8578 -0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1461 -0.9186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1461 -0.9186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4344 -0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4344 -0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4344 0.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4344 0.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1461 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1461 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7228 -0.9186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7228 -0.9186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0111 -0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0111 -0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0111 0.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0111 0.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7228 0.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7228 0.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7228 -1.5592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7228 -1.5592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8851 0.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8851 0.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6105 0.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6105 0.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3357 0.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3357 0.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3357 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3357 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6105 2.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6105 2.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8851 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8851 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1461 -1.7400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1461 -1.7400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9500 2.1323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9500 2.1323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6476 -0.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6476 -0.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5622 0.7623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5622 0.7623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8708 -1.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8708 -1.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1564 -1.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1564 -1.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9567 -1.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9567 -1.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5345 -2.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5345 -2.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2491 -1.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2491 -1.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4487 -1.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4487 -1.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2564 -0.8072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2564 -0.8072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9174 -1.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9174 -1.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5622 -1.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5622 -1.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1247 -2.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1247 -2.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3607 -3.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3607 -3.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9229 -3.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9229 -3.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7326 -3.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7326 -3.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5139 -3.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5139 -3.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9463 -2.9348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9463 -2.9348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1192 -3.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1192 -3.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3827 -2.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3827 -2.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2335 -3.7462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2335 -3.7462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3836 -3.9612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3836 -3.9612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1858 -3.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1858 -3.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6031 2.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6031 2.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1678 3.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1678 3.9612 0.0000 C 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 |
− | 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 |
− | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
− | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
− | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
− | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
− | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
− | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
− | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
− | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
− | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
− | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
− | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
− | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
− | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
− | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
− | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
− | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
− | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
− | 37 32 1 0 0 0 0 | + | 37 32 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 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
− | 35 41 1 0 0 0 0 | + | 35 41 1 0 0 0 0 |
− | 41 31 1 0 0 0 0 | + | 41 31 1 0 0 0 0 |
− | 23 20 1 0 0 0 0 | + | 23 20 1 0 0 0 0 |
− | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
− | 16 42 1 0 0 0 0 | + | 16 42 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 42 43 | + | M SAL 1 2 42 43 |
− | M SBL 1 1 47 | + | M SBL 1 1 47 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 47 0.0073 -0.6738 | + | M SBV 1 47 0.0073 -0.6738 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FADGA0002 | + | ID FL5FADGA0002 |
− | FORMULA C27H30O16 | + | FORMULA C27H30O16 |
− | EXACTMASS 610.153384912 | + | EXACTMASS 610.153384912 |
− | AVERAGEMASS 610.5175 | + | AVERAGEMASS 610.5175 |
− | SMILES C(O)(C(O)1)C(O)C(OC(C4=O)=C(Oc(c5)c(c(O)cc5O)4)c(c3)ccc(c3OC)O)OC(COC(O2)C(O)C(C(O)C2)O)1 | + | SMILES C(O)(C(O)1)C(O)C(OC(C4=O)=C(Oc(c5)c(c(O)cc5O)4)c(c3)ccc(c3OC)O)OC(COC(O2)C(O)C(C(O)C2)O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -2.8578 0.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8578 -0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1461 -0.9186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4344 -0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4344 0.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1461 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7228 -0.9186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0111 -0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0111 0.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7228 0.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7228 -1.5592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8851 0.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6105 0.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3357 0.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3357 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6105 2.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8851 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1461 -1.7400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 2.1323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6476 -0.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5622 0.7623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8708 -1.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1564 -1.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9567 -1.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5345 -2.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2491 -1.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4487 -1.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2564 -0.8072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9174 -1.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5622 -1.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1247 -2.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3607 -3.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9229 -3.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7326 -3.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5139 -3.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9463 -2.9348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1192 -3.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3827 -2.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2335 -3.7462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3836 -3.9612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1858 -3.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6031 2.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1678 3.9612 0.0000 C 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 20 8 1 0 0 0 0 4 3 1 0 0 0 0 1 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 25 31 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 34 40 1 0 0 0 0 35 41 1 0 0 0 0 41 31 1 0 0 0 0 23 20 1 0 0 0 0 42 43 1 0 0 0 0 16 42 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 42 43 M SBL 1 1 47 M SMT 1 OCH3 M SBV 1 47 0.0073 -0.6738 S SKP 5 ID FL5FADGA0002 FORMULA C27H30O16 EXACTMASS 610.153384912 AVERAGEMASS 610.5175 SMILES C(O)(C(O)1)C(O)C(OC(C4=O)=C(Oc(c5)c(c(O)cc5O)4)c(c3)ccc(c3OC)O)OC(COC(O2)C(O)C(C(O)C2)O)1 M END