Mol:FL3FFCGS0006
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -0.1506 -1.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1506 -1.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1506 -2.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1506 -2.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5115 -2.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5115 -2.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1736 -2.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1736 -2.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1736 -1.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1736 -1.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5115 -1.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5115 -1.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8355 -2.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8355 -2.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4976 -2.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4976 -2.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4976 -1.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4976 -1.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8355 -1.2592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8355 -1.2592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8355 -3.3842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8355 -3.3842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1594 -1.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1594 -1.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8341 -1.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8341 -1.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5088 -1.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5088 -1.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5088 -0.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5088 -0.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8341 -0.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8341 -0.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1594 -0.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1594 -0.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8341 0.7954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8341 0.7954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5115 -3.5509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5115 -3.5509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8151 -1.1422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8151 -1.1422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5129 -0.5353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5129 -0.5353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3443 0.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3443 0.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2651 0.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2651 0.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6569 0.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6569 0.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3643 1.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3643 1.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6569 2.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6569 2.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2651 2.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2651 2.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0273 1.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0273 1.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1182 3.5509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1182 3.5509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6583 3.0327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6583 3.0327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4401 2.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4401 2.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9406 0.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9406 0.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9905 2.0909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9905 2.0909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6026 2.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6026 2.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8459 1.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8459 1.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7561 1.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7561 1.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6275 1.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6275 1.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4686 2.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4686 2.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5818 1.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5818 1.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3443 1.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3443 1.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7974 1.1356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7974 1.1356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8607 1.1035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8607 1.1035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3428 2.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3428 2.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2943 1.8491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2943 1.8491 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 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 22 15 1 0 0 0 0 | + | 22 15 1 0 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 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 28 23 1 1 0 0 0 | + | 28 23 1 1 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 24 21 1 0 0 0 0 | + | 24 21 1 0 0 0 0 |
| − | 31 33 1 0 0 0 0 | + | 31 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 |
| − | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
| − | 35 41 1 0 0 0 0 | + | 35 41 1 0 0 0 0 |
| − | 36 42 1 0 0 0 0 | + | 36 42 1 0 0 0 0 |
| − | 37 33 1 0 0 0 0 | + | 37 33 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 39 43 1 0 0 0 0 | + | 39 43 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 43 44 | + | M SAL 1 2 43 44 |
| − | M SBL 1 1 48 | + | M SBL 1 1 48 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 48 0.7610 -0.5429 | + | M SBV 1 48 0.7610 -0.5429 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FFCGS0006 | + | ID FL3FFCGS0006 |
| − | FORMULA C27H30O17 | + | FORMULA C27H30O17 |
| − | EXACTMASS 626.148299534 | + | EXACTMASS 626.148299534 |
| − | AVERAGEMASS 626.5169000000001 | + | AVERAGEMASS 626.5169000000001 |
| − | SMILES C(C5=O)=C(Oc(c54)c(c(O)cc(O)4)OC(C(O)3)OC(C(O)C(O)3)COC(C2O)OC(C(C(O)2)O)CO)c(c1)ccc(O)c1O | + | SMILES C(C5=O)=C(Oc(c54)c(c(O)cc(O)4)OC(C(O)3)OC(C(O)C(O)3)COC(C2O)OC(C(C(O)2)O)CO)c(c1)ccc(O)c1O |
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
-0.1506 -1.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1506 -2.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5115 -2.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1736 -2.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1736 -1.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5115 -1.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8355 -2.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4976 -2.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4976 -1.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8355 -1.2592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8355 -3.3842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1594 -1.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8341 -1.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5088 -1.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5088 -0.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8341 -0.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1594 -0.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8341 0.7954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5115 -3.5509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8151 -1.1422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5129 -0.5353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3443 0.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2651 0.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6569 0.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3643 1.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6569 2.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2651 2.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0273 1.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1182 3.5509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6583 3.0327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4401 2.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9406 0.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9905 2.0909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6026 2.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8459 1.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7561 1.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6275 1.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4686 2.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5818 1.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3443 1.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7974 1.1356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8607 1.1035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3428 2.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2943 1.8491 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
16 18 1 0 0 0 0
3 19 1 0 0 0 0
1 20 1 0 0 0 0
6 21 1 0 0 0 0
22 15 1 0 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 27 1 0 0 0 0
27 28 1 1 0 0 0
28 23 1 1 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
28 31 1 0 0 0 0
25 32 1 0 0 0 0
24 21 1 0 0 0 0
31 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
34 40 1 0 0 0 0
35 41 1 0 0 0 0
36 42 1 0 0 0 0
37 33 1 0 0 0 0
43 44 1 0 0 0 0
39 43 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 43 44
M SBL 1 1 48
M SMT 1 ^CH2OH
M SBV 1 48 0.7610 -0.5429
S SKP 5
ID FL3FFCGS0006
FORMULA C27H30O17
EXACTMASS 626.148299534
AVERAGEMASS 626.5169000000001
SMILES C(C5=O)=C(Oc(c54)c(c(O)cc(O)4)OC(C(O)3)OC(C(O)C(O)3)COC(C2O)OC(C(C(O)2)O)CO)c(c1)ccc(O)c1O
M END
