Mol:FL5FAAGS0023
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 40 44 0 0 0 0 0 0 0 0999 V2000 | + | 40 44 0 0 0 0 0 0 0 0999 V2000 |
− | -2.0747 0.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0747 0.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0747 -0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0747 -0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3603 -0.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3603 -0.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6458 -0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6458 -0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6458 0.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6458 0.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3603 0.7957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3603 0.7957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0686 -0.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0686 -0.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7830 -0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7830 -0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7830 0.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7830 0.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0686 0.7957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0686 0.7957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0686 -1.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0686 -1.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4972 0.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4972 0.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2253 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2253 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9535 0.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9535 0.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9535 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9535 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2253 2.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2253 2.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4972 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4972 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3603 -1.6787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3603 -1.6787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7889 0.7956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7889 0.7956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6814 2.0567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6814 2.0567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6419 -1.0953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6419 -1.0953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.3955 1.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3955 1.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5888 0.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5888 0.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8448 1.5253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8448 1.5253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5888 2.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5888 2.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.3955 2.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3955 2.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1397 1.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1397 1.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0601 3.4145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0601 3.4145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5888 3.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5888 3.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.8227 2.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8227 2.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.0757 1.0351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0757 1.0351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5895 -1.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5895 -1.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5550 -1.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5550 -1.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0267 -1.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0267 -1.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0597 -2.4151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0597 -2.4151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1457 -1.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1457 -1.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5550 -1.7008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5550 -1.7008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5908 -0.6828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5908 -0.6828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1582 -2.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1582 -2.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.0757 -3.4145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0757 -3.4145 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 |
− | 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 |
− | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
− | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
− | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
− | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 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 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
− | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
− | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
− | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
− | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
− | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
− | 23 19 1 0 0 0 0 | + | 23 19 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 |
− | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
− | 36 32 1 0 0 0 0 | + | 36 32 1 0 0 0 0 |
− | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
− | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
− | 34 21 1 0 0 0 0 | + | 34 21 1 0 0 0 0 |
− | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
− | 36 39 1 0 0 0 0 | + | 36 39 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 39 40 | + | M SAL 1 2 39 40 |
− | M SBL 1 1 44 | + | M SBL 1 1 44 |
− | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
− | M SBV 1 44 -0.0125 1.0259 | + | M SBV 1 44 -0.0125 1.0259 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FAAGS0023 | + | ID FL5FAAGS0023 |
− | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
− | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
− | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
− | SMILES c(c25)(O)cc(cc2OC(=C(C5=O)OC(C(O)4)OC(C(O)4)CO)c(c3)ccc(c3)O)OC(C(O)1)OC(C)C(O)C1O | + | SMILES c(c25)(O)cc(cc2OC(=C(C5=O)OC(C(O)4)OC(C(O)4)CO)c(c3)ccc(c3)O)OC(C(O)1)OC(C)C(O)C1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 40 44 0 0 0 0 0 0 0 0999 V2000 -2.0747 0.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0747 -0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3603 -0.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 -0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 0.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3603 0.7957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0686 -0.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 -0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 0.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0686 0.7957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0686 -1.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4972 0.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2253 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9535 0.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9535 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2253 2.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4972 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3603 -1.6787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7889 0.7956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6814 2.0567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6419 -1.0953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3955 1.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5888 0.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8448 1.5253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5888 2.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3955 2.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1397 1.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0601 3.4145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5888 3.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8227 2.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0757 1.0351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5895 -1.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5550 -1.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0267 -1.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0597 -2.4151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1457 -1.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5550 -1.7008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5908 -0.6828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1582 -2.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0757 -3.4145 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 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 1 19 1 0 0 0 0 15 20 1 0 0 0 0 8 21 1 0 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 27 30 1 0 0 0 0 22 31 1 0 0 0 0 23 19 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 36 35 1 1 0 0 0 36 32 1 0 0 0 0 33 37 1 0 0 0 0 32 38 1 0 0 0 0 34 21 1 0 0 0 0 39 40 1 0 0 0 0 36 39 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 39 40 M SBL 1 1 44 M SMT 1 CH2OH M SBV 1 44 -0.0125 1.0259 S SKP 5 ID FL5FAAGS0023 FORMULA C26H28O14 EXACTMASS 564.147905604 AVERAGEMASS 564.49212 SMILES c(c25)(O)cc(cc2OC(=C(C5=O)OC(C(O)4)OC(C(O)4)CO)c(c3)ccc(c3)O)OC(C(O)1)OC(C)C(O)C1O M END