Mol:FL5FADGS0015
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -1.4390 0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4390 0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4390 -0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4390 -0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7245 -1.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7245 -1.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0099 -0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0099 -0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0099 0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0099 0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7245 0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7245 0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7046 -1.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7046 -1.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4192 -0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4192 -0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4192 0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4192 0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7046 0.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7046 0.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7046 -1.8465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7046 -1.8465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3189 0.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3189 0.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0471 0.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0471 0.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7753 0.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7753 0.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7753 1.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7753 1.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0471 1.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0471 1.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3189 1.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3189 1.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7245 -2.0280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7245 -2.0280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4972 1.8811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4972 1.8811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2925 0.5271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2925 0.5271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1558 -1.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1558 -1.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8762 -2.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8762 -2.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5639 -3.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5639 -3.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3457 -2.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3457 -2.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5639 -1.5114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5639 -1.5114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8762 -1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8762 -1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0943 -1.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0943 -1.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0705 -1.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0705 -1.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8756 -3.2934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8756 -3.2934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4292 -3.6963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4292 -3.6963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8610 -2.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8610 -2.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7636 0.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7636 0.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0891 0.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0891 0.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3032 1.1493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3032 1.1493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0891 1.9028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0891 1.9028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7636 2.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7636 2.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5497 1.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5497 1.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4686 2.8592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4686 2.8592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0793 2.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0793 2.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3202 1.9313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3202 1.9313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4972 0.7594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4972 0.7594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0412 2.5438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0412 2.5438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6082 3.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6082 3.6963 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 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 21 8 1 0 0 0 0 | + | 21 8 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 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 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 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 1 0 0 0 | + | 36 37 1 1 0 0 0 |
| − | 37 32 1 1 0 0 0 | + | 37 32 1 1 0 0 0 |
| − | 36 38 1 0 0 0 0 | + | 36 38 1 0 0 0 0 |
| − | 35 39 1 0 0 0 0 | + | 35 39 1 0 0 0 0 |
| − | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
| − | 32 41 1 0 0 0 0 | + | 32 41 1 0 0 0 0 |
| − | 33 20 1 0 0 0 0 | + | 33 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 0.0059 -0.6767 | + | M SBV 1 47 0.0059 -0.6767 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FADGS0015 | + | ID FL5FADGS0015 |
| − | FORMULA C28H32O15 | + | FORMULA C28H32O15 |
| − | EXACTMASS 608.174120354 | + | EXACTMASS 608.174120354 |
| − | AVERAGEMASS 608.54468 | + | AVERAGEMASS 608.54468 |
| − | SMILES OC(C1Oc(c5)cc(c(c5O)4)OC(=C(C4=O)OC(C3O)OC(C)C(C(O)3)O)c(c2)cc(OC)c(O)c2)C(C(C(O1)C)O)O | + | SMILES OC(C1Oc(c5)cc(c(c5O)4)OC(=C(C4=O)OC(C3O)OC(C)C(C(O)3)O)c(c2)cc(OC)c(O)c2)C(C(C(O1)C)O)O |
M END | M END | ||
| − | |||
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
-1.4390 0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4390 -0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7245 -1.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0099 -0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0099 0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7245 0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7046 -1.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4192 -0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4192 0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7046 0.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7046 -1.8465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3189 0.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0471 0.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7753 0.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7753 1.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0471 1.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3189 1.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7245 -2.0280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4972 1.8811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2925 0.5271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1558 -1.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8762 -2.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5639 -3.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3457 -2.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5639 -1.5114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8762 -1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0943 -1.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0705 -1.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8756 -3.2934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4292 -3.6963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8610 -2.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7636 0.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0891 0.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3032 1.1493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0891 1.9028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7636 2.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5497 1.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4686 2.8592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0793 2.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3202 1.9313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4972 0.7594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0412 2.5438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6082 3.6963 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
4 3 1 0 0 0 0
1 20 1 0 0 0 0
21 8 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
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
26 21 1 0 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 36 1 0 0 0 0
36 37 1 1 0 0 0
37 32 1 1 0 0 0
36 38 1 0 0 0 0
35 39 1 0 0 0 0
37 40 1 0 0 0 0
32 41 1 0 0 0 0
33 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 0.0059 -0.6767
S SKP 5
ID FL5FADGS0015
FORMULA C28H32O15
EXACTMASS 608.174120354
AVERAGEMASS 608.54468
SMILES OC(C1Oc(c5)cc(c(c5O)4)OC(=C(C4=O)OC(C3O)OC(C)C(C(O)3)O)c(c2)cc(OC)c(O)c2)C(C(C(O1)C)O)O
M END
