Mol:FL5FAHGL0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 38 41 0 0 0 0 0 0 0 0999 V2000 | + | 38 41 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8311 -5.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8311 -5.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1985 -5.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1985 -5.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0212 -4.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0212 -4.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3917 -4.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3917 -4.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0243 -4.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0243 -4.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2440 -4.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2440 -4.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1720 -3.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1720 -3.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5849 -2.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5849 -2.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2175 -3.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2175 -3.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4372 -3.6374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4372 -3.6374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3212 -3.3273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3212 -3.3273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6303 -2.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6303 -2.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4063 -1.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4063 -1.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8272 -1.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8272 -1.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4719 -1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4719 -1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6958 -2.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6958 -2.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2750 -2.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2750 -2.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1555 -2.1885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1555 -2.1885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2951 -0.8380 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.2951 -0.8380 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0925 -1.5094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.0925 -1.5094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.6530 -1.2964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6530 -1.2964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4029 -1.5094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.4029 -1.5094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.7907 -0.8380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.7907 -0.8380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.0452 -1.0510 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.0452 -1.0510 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.4319 -1.0328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4319 -1.0328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3140 -0.5854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3140 -0.5854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4333 -1.0102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4333 -1.0102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1147 -0.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1147 -0.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6534 -4.3985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6534 -4.3985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9205 -5.8613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9205 -5.8613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0319 -1.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0319 -1.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9764 -1.5187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9764 -1.5187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6364 -1.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6364 -1.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6364 -0.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6364 -0.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2345 -1.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2345 -1.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6033 -0.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6033 -0.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3124 -1.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3124 -1.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2727 -1.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2727 -1.6961 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 |
| − | 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 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 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 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 20 18 1 0 0 0 0 | + | 20 18 1 0 0 0 0 |
| − | 18 8 1 0 0 0 0 | + | 18 8 1 0 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 15 28 1 0 0 0 0 | + | 15 28 1 0 0 0 0 |
| − | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
| − | 1 30 1 0 0 0 0 | + | 1 30 1 0 0 0 0 |
| − | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 14 36 1 0 0 0 0 | + | 14 36 1 0 0 0 0 |
| − | 16 37 1 0 0 0 0 | + | 16 37 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 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 37 38 | + | M SAL 1 2 37 38 |
| − | M SBL 1 1 40 | + | M SBL 1 1 40 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 40 0.0081 1.7424 | + | M SVB 1 40 0.0081 1.7424 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAHGL0006 | + | ID FL5FAHGL0006 |
| − | KNApSAcK_ID C00006048 | + | KNApSAcK_ID C00006048 |
| − | NAME Laricitrin 3-(6''-acetylglucoside) | + | NAME Laricitrin 3-(6''-acetylglucoside) |
| − | CAS_RN 174541-14-1 | + | CAS_RN 174541-14-1 |
| − | FORMULA C24H24O14 | + | FORMULA C24H24O14 |
| − | EXACTMASS 536.116605476 | + | EXACTMASS 536.116605476 |
| − | AVERAGEMASS 536.43896 | + | AVERAGEMASS 536.43896 |
| − | SMILES C(O[C@H](O4)C(O)C(O)[C@@H](O)[C@H]4COC(C)=O)(=C2c(c3)cc(c(O)c(O)3)OC)C(c(c1O2)c(O)cc(c1)O)=O | + | SMILES C(O[C@H](O4)C(O)C(O)[C@@H](O)[C@H]4COC(C)=O)(=C2c(c3)cc(c(O)c(O)3)OC)C(c(c1O2)c(O)cc(c1)O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
38 41 0 0 0 0 0 0 0 0999 V2000
-0.8311 -5.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1985 -5.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0212 -4.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3917 -4.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0243 -4.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2440 -4.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1720 -3.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5849 -2.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2175 -3.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4372 -3.6374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3212 -3.3273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6303 -2.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4063 -1.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8272 -1.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4719 -1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6958 -2.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2750 -2.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1555 -2.1885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2951 -0.8380 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0925 -1.5094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.6530 -1.2964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4029 -1.5094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7907 -0.8380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.0452 -1.0510 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.4319 -1.0328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3140 -0.5854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4333 -1.0102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1147 -0.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6534 -4.3985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9205 -5.8613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0319 -1.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9764 -1.5187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6364 -1.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6364 -0.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2345 -1.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6033 -0.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3124 -1.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2727 -1.6961 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
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
19 20 1 0 0 0 0
20 21 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
20 18 1 0 0 0 0
18 8 1 0 0 0 0
22 21 1 1 0 0 0
15 28 1 0 0 0 0
3 29 1 0 0 0 0
1 30 1 0 0 0 0
22 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
14 36 1 0 0 0 0
16 37 1 0 0 0 0
37 38 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 37 38
M SBL 1 1 40
M SMT 1 OCH3
M SVB 1 40 0.0081 1.7424
S SKP 8
ID FL5FAHGL0006
KNApSAcK_ID C00006048
NAME Laricitrin 3-(6''-acetylglucoside)
CAS_RN 174541-14-1
FORMULA C24H24O14
EXACTMASS 536.116605476
AVERAGEMASS 536.43896
SMILES C(O[C@H](O4)C(O)C(O)[C@@H](O)[C@H]4COC(C)=O)(=C2c(c3)cc(c(O)c(O)3)OC)C(c(c1O2)c(O)cc(c1)O)=O
M END
