Mol:FL7AAGGA0006
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 |
| − | -3.2559 1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2559 1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2559 0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2559 0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5414 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5414 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8270 0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8270 0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8270 1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8270 1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5414 1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5414 1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1125 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1125 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3981 0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3981 0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3981 1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3981 1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1125 1.8417 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -1.1125 1.8417 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3161 1.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3161 1.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0443 1.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0443 1.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7725 1.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7725 1.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7725 2.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7725 2.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0443 3.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0443 3.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3161 2.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3161 2.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9701 1.8415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9701 1.8415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5005 3.1026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5005 3.1026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5414 -0.6331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5414 -0.6331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1363 -0.3215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1363 -0.3215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0443 3.9433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0443 3.9433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9383 -0.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9383 -0.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4542 -0.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4542 -0.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1972 -0.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1972 -0.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9140 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9140 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3930 0.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3930 0.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7432 -0.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7432 -0.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6101 -0.7148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6101 -0.7148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5637 -0.9171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5637 -0.9171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3381 -1.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3381 -1.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4137 -1.4061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4137 -1.4061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8412 -1.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8412 -1.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4652 -2.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4652 -2.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8412 -3.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8412 -3.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5932 -3.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5932 -3.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9692 -2.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9692 -2.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5932 -1.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5932 -1.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7197 -2.6421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7197 -2.6421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9685 -3.9433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9685 -3.9433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4660 -3.9433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4660 -3.9433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9405 -1.2259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9405 -1.2259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4993 1.4218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4993 1.4218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0525 -0.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0525 -0.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9701 -0.6038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9701 -0.6038 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 2 0 0 0 0 | + | 7 8 2 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 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 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 23 28 1 0 0 0 0 | + | 23 28 1 0 0 0 0 |
| − | 24 29 1 0 0 0 0 | + | 24 29 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
| − | 37 32 1 0 0 0 0 | + | 37 32 1 0 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 |
| − | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
| − | 25 41 1 0 0 0 0 | + | 25 41 1 0 0 0 0 |
| − | 13 42 1 0 0 0 0 | + | 13 42 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 26 43 1 0 0 0 0 | + | 26 43 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | 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 -0.6594 0.0936 | + | M SBV 1 48 -0.6594 0.0936 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAGGA0006 | + | ID FL7AAGGA0006 |
| − | FORMULA C28H25O16 | + | FORMULA C28H25O16 |
| − | EXACTMASS 617.114259752 | + | EXACTMASS 617.114259752 |
| − | AVERAGEMASS 617.4885 | + | AVERAGEMASS 617.4885 |
| − | SMILES C(O)C(O1)C(C(O)C(OC(c(c5)cc(O)c(O)c5O)=O)C(Oc(c4)c([o+1]c(c43)cc(O)cc3O)c(c2)cc(c(c2O)O)O)1)O | + | SMILES C(O)C(O1)C(C(O)C(OC(c(c5)cc(O)c(O)c5O)=O)C(Oc(c4)c([o+1]c(c43)cc(O)cc3O)c(c2)cc(c(c2O)O)O)1)O |
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
-3.2559 1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2559 0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5414 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8270 0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8270 1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5414 1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1125 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3981 0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3981 1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1125 1.8417 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.3161 1.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0443 1.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7725 1.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7725 2.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0443 3.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3161 2.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9701 1.8415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5005 3.1026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5414 -0.6331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1363 -0.3215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0443 3.9433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9383 -0.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4542 -0.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1972 -0.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9140 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3930 0.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7432 -0.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6101 -0.7148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5637 -0.9171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3381 -1.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4137 -1.4061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8412 -1.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4652 -2.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8412 -3.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5932 -3.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9692 -2.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5932 -1.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7197 -2.6421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9685 -3.9433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4660 -3.9433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9405 -1.2259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4993 1.4218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0525 -0.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9701 -0.6038 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 1 0 0 0 0
15 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
23 28 1 0 0 0 0
24 29 1 0 0 0 0
20 22 1 0 0 0 0
28 30 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 32 1 0 0 0 0
36 38 1 0 0 0 0
35 39 1 0 0 0 0
34 40 1 0 0 0 0
25 41 1 0 0 0 0
13 42 1 0 0 0 0
43 44 1 0 0 0 0
26 43 1 0 0 0 0
M CHG 1 10 1
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 -0.6594 0.0936
S SKP 5
ID FL7AAGGA0006
FORMULA C28H25O16
EXACTMASS 617.114259752
AVERAGEMASS 617.4885
SMILES C(O)C(O1)C(C(O)C(OC(c(c5)cc(O)c(O)c5O)=O)C(Oc(c4)c([o+1]c(c43)cc(O)cc3O)c(c2)cc(c(c2O)O)O)1)O
M END
