Mol:FL3FACCS0022
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 41 45 0 0 0 0 0 0 0 0999 V2000 | + | 41 45 0 0 0 0 0 0 0 0999 V2000 |
− | -1.2613 -0.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2613 -0.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2613 -1.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2613 -1.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5468 -1.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5468 -1.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1676 -1.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1676 -1.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1676 -0.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1676 -0.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5468 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5468 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8821 -1.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8821 -1.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5966 -1.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5966 -1.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5966 -0.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5966 -0.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8821 -0.2514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8821 -0.2514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8821 -2.7828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8821 -2.7828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5468 -2.7261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5468 -2.7261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4696 -0.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4696 -0.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2225 -0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2225 -0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9755 -0.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9755 -0.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9755 0.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9755 0.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2225 1.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2225 1.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4696 0.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4696 0.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.7278 1.1846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7278 1.1846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9921 -0.2553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9921 -0.2553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0579 -1.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0579 -1.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3957 -2.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3957 -2.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7336 -1.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7336 -1.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8329 -1.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8329 -1.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4686 -1.1372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4686 -1.1372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1838 -1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1838 -1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.6733 -1.6055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6733 -1.6055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2194 -2.0361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2194 -2.0361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0048 -2.1798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0048 -2.1798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3080 0.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3080 0.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5411 0.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5411 0.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9493 1.0567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9493 1.0567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9375 1.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9375 1.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7044 2.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7044 2.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2961 1.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2961 1.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4816 1.5979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4816 1.5979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9181 0.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9181 0.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4655 2.7828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4655 2.7828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.7278 -0.5536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7278 -0.5536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7044 -0.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7044 -0.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.7278 -0.6570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7278 -0.6570 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 |
− | 3 12 1 0 0 0 0 | + | 3 12 1 0 0 0 0 |
− | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
− | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
− | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
− | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
− | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
− | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
− | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
− | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
− | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
− | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
− | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
− | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
− | 24 2 1 0 0 0 0 | + | 24 2 1 0 0 0 0 |
− | 31 30 1 1 0 0 0 | + | 31 30 1 1 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
− | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
− | 35 30 1 1 0 0 0 | + | 35 30 1 1 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 30 37 1 0 0 0 0 | + | 30 37 1 0 0 0 0 |
− | 6 31 1 0 0 0 0 | + | 6 31 1 0 0 0 0 |
− | 34 38 1 0 0 0 0 | + | 34 38 1 0 0 0 0 |
− | 15 39 1 0 0 0 0 | + | 15 39 1 0 0 0 0 |
− | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
− | 26 40 1 0 0 0 0 | + | 26 40 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 40 41 | + | M SAL 1 2 40 41 |
− | M SBL 1 1 45 | + | M SBL 1 1 45 |
− | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
− | M SBV 1 45 0.5205 -0.5502 | + | M SBV 1 45 0.5205 -0.5502 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL3FACCS0022 | + | ID FL3FACCS0022 |
− | FORMULA C26H28O15 | + | FORMULA C26H28O15 |
− | EXACTMASS 580.1428202259999 | + | EXACTMASS 580.1428202259999 |
− | AVERAGEMASS 580.49152 | + | AVERAGEMASS 580.49152 |
− | SMILES C(C(C1O)OC(c(c4O)c(c(c(c4C(O5)C(O)C(O)C(O)C5)2)C(C=C(c(c3)ccc(O)c3O)O2)=O)O)C(C1O)O)O | + | SMILES C(C(C1O)OC(c(c4O)c(c(c(c4C(O5)C(O)C(O)C(O)C5)2)C(C=C(c(c3)ccc(O)c3O)O2)=O)O)C(C1O)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/ 41 45 0 0 0 0 0 0 0 0999 V2000 -1.2613 -0.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2613 -1.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5468 -1.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1676 -1.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1676 -0.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5468 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8821 -1.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5966 -1.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5966 -0.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8821 -0.2514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8821 -2.7828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5468 -2.7261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4696 -0.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2225 -0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9755 -0.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9755 0.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2225 1.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4696 0.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7278 1.1846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9921 -0.2553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0579 -1.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3957 -2.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7336 -1.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8329 -1.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4686 -1.1372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1838 -1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6733 -1.6055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2194 -2.0361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0048 -2.1798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 0.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5411 0.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9493 1.0567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9375 1.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7044 2.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2961 1.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4816 1.5979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9181 0.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4655 2.7828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7278 -0.5536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7044 -0.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7278 -0.6570 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 3 12 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 9 13 1 0 0 0 0 16 19 1 0 0 0 0 1 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 2 1 0 0 0 0 31 30 1 1 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 35 30 1 1 0 0 0 35 36 1 0 0 0 0 30 37 1 0 0 0 0 6 31 1 0 0 0 0 34 38 1 0 0 0 0 15 39 1 0 0 0 0 40 41 1 0 0 0 0 26 40 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 40 41 M SBL 1 1 45 M SMT 1 ^CH2OH M SBV 1 45 0.5205 -0.5502 S SKP 5 ID FL3FACCS0022 FORMULA C26H28O15 EXACTMASS 580.1428202259999 AVERAGEMASS 580.49152 SMILES C(C(C1O)OC(c(c4O)c(c(c(c4C(O5)C(O)C(O)C(O)C5)2)C(C=C(c(c3)ccc(O)c3O)O2)=O)O)C(C1O)O)O M END