Mol:FL7AAAGA0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 40 44 0 0 0 0 0 0 0 0999 V2000 | + | 40 44 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.3318 1.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3318 1.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3318 0.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3318 0.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6308 0.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6308 0.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9298 0.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9298 0.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9298 1.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9298 1.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6308 1.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6308 1.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2287 0.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2287 0.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5277 0.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5277 0.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5277 1.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5277 1.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2287 1.9648 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -1.2287 1.9648 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1730 1.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1730 1.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8874 1.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8874 1.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6019 1.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6019 1.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6019 2.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6019 2.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8874 3.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8874 3.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1730 2.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1730 2.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3162 3.2020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3162 3.2020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0326 1.9647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0326 1.9647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6308 -0.4632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6308 -0.4632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0473 0.3889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0473 0.3889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6665 -0.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6665 -0.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1795 -0.4399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1795 -0.4399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0890 -1.3793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0890 -1.3793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1795 -2.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1795 -2.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6665 -2.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6665 -2.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3981 -1.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3981 -1.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6000 -0.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6000 -0.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8839 -2.2616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8839 -2.2616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3720 -2.5475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3720 -2.5475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9325 0.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9325 0.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8683 0.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8683 0.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5524 0.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5524 0.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5400 1.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5400 1.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6043 1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6043 1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9200 0.9359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9200 0.9359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2463 -0.1051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2463 -0.1051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3268 0.7521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3268 0.7521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0326 1.7444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0326 1.7444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0126 -3.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0126 -3.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9916 -2.9331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9916 -2.9331 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 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 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 |
| − | 31 36 1 0 0 0 0 | + | 31 36 1 0 0 0 0 |
| − | 32 37 1 0 0 0 0 | + | 32 37 1 0 0 0 0 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | 30 27 1 0 0 0 0 | + | 30 27 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 24 39 1 0 0 0 0 | + | 24 39 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 39 40 | + | M SAL 1 2 39 40 |
| − | M SBL 1 1 44 | + | M SBL 1 1 44 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 44 -0.1921 0.8778 | + | M SBV 1 44 -0.1921 0.8778 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAAGA0002 | + | ID FL7AAAGA0002 |
| − | FORMULA C26H29O14 | + | FORMULA C26H29O14 |
| − | EXACTMASS 565.155730636 | + | EXACTMASS 565.155730636 |
| − | AVERAGEMASS 565.50006 | + | AVERAGEMASS 565.50006 |
| − | SMILES c(O)(c1)ccc(c([o+1]3)c(OC(C(OC(C5O)OCC(C5O)O)4)OC(C(O)C4O)CO)cc(c32)c(cc(O)c2)O)c1 | + | SMILES c(O)(c1)ccc(c([o+1]3)c(OC(C(OC(C5O)OCC(C5O)O)4)OC(C(O)C4O)CO)cc(c32)c(cc(O)c2)O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
-3.3318 1.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3318 0.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6308 0.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9298 0.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9298 1.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6308 1.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2287 0.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5277 0.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5277 1.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2287 1.9648 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.1730 1.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8874 1.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6019 1.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6019 2.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8874 3.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1730 2.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3162 3.2020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0326 1.9647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6308 -0.4632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0473 0.3889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6665 -0.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1795 -0.4399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0890 -1.3793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1795 -2.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6665 -2.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3981 -1.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6000 -0.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8839 -2.2616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3720 -2.5475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9325 0.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8683 0.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5524 0.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5400 1.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6043 1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9200 0.9359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2463 -0.1051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3268 0.7521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0326 1.7444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0126 -3.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9916 -2.9331 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
14 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
21 22 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 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
22 20 1 0 0 0 0
8 20 1 0 0 0 0
25 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
31 36 1 0 0 0 0
32 37 1 0 0 0 0
33 38 1 0 0 0 0
30 27 1 0 0 0 0
39 40 1 0 0 0 0
24 39 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 44
M SMT 1 CH2OH
M SBV 1 44 -0.1921 0.8778
S SKP 5
ID FL7AAAGA0002
FORMULA C26H29O14
EXACTMASS 565.155730636
AVERAGEMASS 565.50006
SMILES c(O)(c1)ccc(c([o+1]3)c(OC(C(OC(C5O)OCC(C5O)O)4)OC(C(O)C4O)CO)cc(c32)c(cc(O)c2)O)c1
M END
