Mol:FL5FCDGS0003
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 44 48 0 0 0 0 0 0 0 0999 V2000 | + | 44 48 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.1427 1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1427 1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4283 1.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4283 1.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4283 2.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4283 2.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1427 3.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1427 3.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8572 2.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8572 2.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8572 1.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8572 1.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7139 1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7139 1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0006 1.8734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0006 1.8734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7151 1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7151 1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7151 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7151 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0006 0.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0006 0.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7139 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7139 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4295 1.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4295 1.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1439 1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1439 1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1439 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1439 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4295 0.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4295 0.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0006 -0.6015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0006 -0.6015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8584 1.8734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8584 1.8734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4283 0.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4283 0.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4295 -0.6015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4295 -0.6015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5717 3.1109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5717 3.1109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1427 3.9358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1427 3.9358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5717 1.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5717 1.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8572 4.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8572 4.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3371 -3.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3371 -3.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4762 -3.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4762 -3.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8261 -2.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8261 -2.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5081 -2.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5081 -2.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6949 -2.3339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6949 -2.3339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3448 -3.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3448 -3.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6141 -2.9278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6141 -2.9278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1004 -4.1710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1004 -4.1710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4702 -4.3483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4702 -4.3483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4059 -2.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4059 -2.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4152 -2.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4152 -2.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7116 -1.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7116 -1.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3590 -0.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3590 -0.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5380 -0.7390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5380 -0.7390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2415 -1.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2415 -1.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3848 -1.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3848 -1.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8075 -1.9376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8075 -1.9376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4388 -2.6968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4388 -2.6968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0887 -2.5239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0887 -2.5239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5110 -1.3525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5110 -1.3525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 18 23 1 0 0 0 0 | + | 18 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 28 27 1 1 0 0 0 | + | 28 27 1 1 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 25 1 0 0 0 0 | + | 30 25 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
| − | 35 43 1 0 0 0 0 | + | 35 43 1 0 0 0 0 |
| − | 36 44 1 0 0 0 0 | + | 36 44 1 0 0 0 0 |
| − | 37 19 1 0 0 0 0 | + | 37 19 1 0 0 0 0 |
| − | 28 44 1 0 0 0 0 | + | 28 44 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FCDGS0003 | + | ID FL5FCDGS0003 |
| − | FORMULA C28H32O16 | + | FORMULA C28H32O16 |
| − | EXACTMASS 624.1690349759999 | + | EXACTMASS 624.1690349759999 |
| − | AVERAGEMASS 624.54408 | + | AVERAGEMASS 624.54408 |
| − | SMILES c(OC)(c5)cc(c(c5O)2)OC(=C(OC(C(OC(C4O)OCC(C(O)4)O)3)OC(C(O)C(O)3)CO)C2=O)c(c1)ccc(O)c1OC | + | SMILES c(OC)(c5)cc(c(c5O)2)OC(=C(OC(C(OC(C4O)OCC(C(O)4)O)3)OC(C(O)C(O)3)CO)C2=O)c(c1)ccc(O)c1OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
2.1427 1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4283 1.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4283 2.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1427 3.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8572 2.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8572 1.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7139 1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0006 1.8734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7151 1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7151 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0006 0.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7139 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4295 1.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1439 1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1439 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4295 0.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0006 -0.6015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8584 1.8734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4283 0.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4295 -0.6015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5717 3.1109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1427 3.9358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5717 1.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8572 4.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3371 -3.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4762 -3.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8261 -2.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5081 -2.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6949 -2.3339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3448 -3.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6141 -2.9278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1004 -4.1710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4702 -4.3483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4059 -2.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4152 -2.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7116 -1.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3590 -0.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5380 -0.7390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2415 -1.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3848 -1.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8075 -1.9376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4388 -2.6968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0887 -2.5239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5110 -1.3525 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 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
18 23 1 0 0 0 0
22 24 1 0 0 0 0
25 26 1 1 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
27 31 1 0 0 0 0
26 32 1 0 0 0 0
25 33 1 0 0 0 0
34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
34 42 1 0 0 0 0
35 43 1 0 0 0 0
36 44 1 0 0 0 0
37 19 1 0 0 0 0
28 44 1 0 0 0 0
S SKP 5
ID FL5FCDGS0003
FORMULA C28H32O16
EXACTMASS 624.1690349759999
AVERAGEMASS 624.54408
SMILES c(OC)(c5)cc(c(c5O)2)OC(=C(OC(C(OC(C4O)OCC(C(O)4)O)3)OC(C(O)C(O)3)CO)C2=O)c(c1)ccc(O)c1OC
M END
