Mol:FL3FACCS0014
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 |
− | -1.4905 -1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4905 -1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4905 -1.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4905 -1.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7761 -2.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7761 -2.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0616 -1.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0616 -1.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0616 -1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0616 -1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7761 -0.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7761 -0.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6528 -2.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6528 -2.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3672 -1.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3672 -1.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3672 -1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3672 -1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6528 -0.6621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6528 -0.6621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6528 -2.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6528 -2.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2047 -0.6622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2047 -0.6622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6878 2.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6878 2.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4655 1.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4655 1.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1356 1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1356 1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1267 0.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1267 0.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5317 0.8765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5317 0.8765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9234 1.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9234 1.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0336 3.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0336 3.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4655 2.6273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4655 2.6273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5043 0.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5043 0.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7761 -3.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7761 -3.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1609 -0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1609 -0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9137 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9137 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6665 -0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6665 -0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6665 0.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6665 0.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9137 0.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9137 0.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1609 0.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1609 0.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.4190 0.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4190 0.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8183 0.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8183 0.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3417 -0.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3417 -0.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6553 0.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6553 0.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9929 0.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9929 0.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4742 0.5626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4742 0.5626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0747 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0747 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.4190 0.2755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4190 0.2755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9388 -0.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9388 -0.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0604 -0.2693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0604 -0.2693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.4190 -1.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4190 -1.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4418 2.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4418 2.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4757 1.5706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4757 1.5706 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 |
− | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
− | 13 14 1 1 0 0 0 | + | 13 14 1 1 0 0 0 |
− | 14 15 1 1 0 0 0 | + | 14 15 1 1 0 0 0 |
− | 16 15 1 1 0 0 0 | + | 16 15 1 1 0 0 0 |
− | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
− | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
− | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
− | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
− | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
− | 6 16 1 0 0 0 0 | + | 6 16 1 0 0 0 0 |
− | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
− | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
− | 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 21 1 0 0 0 0 | + | 33 21 1 0 0 0 0 |
− | 25 39 1 0 0 0 0 | + | 25 39 1 0 0 0 0 |
− | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
− | 18 40 1 0 0 0 0 | + | 18 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 -0.4816 -0.4816 | + | M SBV 1 45 -0.4816 -0.4816 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL3FACCS0014 | + | ID FL3FACCS0014 |
− | FORMULA C26H28O15 | + | FORMULA C26H28O15 |
− | EXACTMASS 580.1428202259999 | + | EXACTMASS 580.1428202259999 |
− | AVERAGEMASS 580.49152 | + | AVERAGEMASS 580.49152 |
− | SMILES OC(C(O)1)C(O)COC(OC(C5O)C(OC(C(O)5)CO)c(c4O)c(c(c(c4)O)2)OC(c(c3)ccc(O)c3O)=CC2=O)1 | + | SMILES OC(C(O)1)C(O)COC(OC(C5O)C(OC(C(O)5)CO)c(c4O)c(c(c(c4)O)2)OC(c(c3)ccc(O)c3O)=CC2=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/ 41 45 0 0 0 0 0 0 0 0999 V2000 -1.4905 -1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4905 -1.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7761 -2.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0616 -1.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0616 -1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7761 -0.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6528 -2.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3672 -1.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3672 -1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6528 -0.6621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6528 -2.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2047 -0.6622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6878 2.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4655 1.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1356 1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1267 0.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5317 0.8765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9234 1.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0336 3.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4655 2.6273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5043 0.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7761 -3.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1609 -0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9137 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6665 -0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6665 0.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9137 0.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1609 0.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4190 0.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8183 0.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3417 -0.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6553 0.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9929 0.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4742 0.5626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0747 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4190 0.2755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9388 -0.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0604 -0.2693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4190 -1.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4418 2.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4757 1.5706 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 21 1 0 0 0 0 25 39 1 0 0 0 0 40 41 1 0 0 0 0 18 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 -0.4816 -0.4816 S SKP 5 ID FL3FACCS0014 FORMULA C26H28O15 EXACTMASS 580.1428202259999 AVERAGEMASS 580.49152 SMILES OC(C(O)1)C(O)COC(OC(C5O)C(OC(C(O)5)CO)c(c4O)c(c(c(c4)O)2)OC(c(c3)ccc(O)c3O)=CC2=O)1 M END