Mol:FL5FAHGS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.5618 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5618 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5618 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5618 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0055 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0055 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5508 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5508 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5508 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5508 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0055 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0055 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1071 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1071 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6634 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6634 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6634 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6634 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1071 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1071 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1071 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1071 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2195 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2195 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7865 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7865 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3534 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3534 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3534 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3534 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7865 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7865 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2195 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2195 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1179 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1179 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0055 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0055 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2195 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2195 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2194 1.3391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2194 1.3391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9202 -0.1430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9202 -0.1430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4602 0.0366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.4602 0.0366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -3.0333 -0.5270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.0333 -0.5270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.4185 -0.2879 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.4185 -0.2879 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.8253 -0.2815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.8253 -0.2815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.2564 0.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2564 0.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8844 -0.0758 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.8844 -0.0758 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.9374 0.3122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9374 0.3122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6988 -0.5594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6988 -0.5594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0662 -0.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0662 -0.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1196 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1196 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4499 1.3926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4499 1.3926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0699 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0699 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5113 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5113 2.6397 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 |
| − | 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 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 26 18 1 0 0 0 0 | + | 26 18 1 0 0 0 0 |
| − | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 16 34 1 0 0 0 0 | + | 16 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 35 | + | M SBL 2 1 35 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 35 -3.1196 0.65 | + | M SVB 2 35 -3.1196 0.65 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 34 35 | + | M SAL 1 2 34 35 |
| − | M SBL 1 1 37 | + | M SBL 1 1 37 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 37 3.0699 1.7424 | + | M SVB 1 37 3.0699 1.7424 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAHGS0002 | + | ID FL5FAHGS0002 |
| − | KNApSAcK_ID C00005763 | + | KNApSAcK_ID C00005763 |
| − | NAME Laricitrin 7-glucoside | + | NAME Laricitrin 7-glucoside |
| − | CAS_RN 89345-45-9 | + | CAS_RN 89345-45-9 |
| − | FORMULA C22H22O13 | + | FORMULA C22H22O13 |
| − | EXACTMASS 494.10604078999995 | + | EXACTMASS 494.10604078999995 |
| − | AVERAGEMASS 494.40228 | + | AVERAGEMASS 494.40228 |
| − | SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c3c4O)OC(=C(C(=O)3)O)c(c2)cc(OC)c(O)c(O)2)CO)O)O | + | SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c3c4O)OC(=C(C(=O)3)O)c(c2)cc(OC)c(O)c(O)2)CO)O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-0.5618 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5618 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0055 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5508 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5508 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0055 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1071 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6634 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6634 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1071 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1071 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2195 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7865 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3534 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3534 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7865 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2195 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1179 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0055 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2195 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2194 1.3391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9202 -0.1430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4602 0.0366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0333 -0.5270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4185 -0.2879 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8253 -0.2815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2564 0.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8844 -0.0758 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.9374 0.3122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6988 -0.5594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0662 -0.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1196 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4499 1.3926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0699 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5113 2.6397 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
8 20 1 0 0 0 0
15 21 1 0 0 0 0
14 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 18 1 0 0 0 0
28 32 1 0 0 0 0
32 33 1 0 0 0 0
16 34 1 0 0 0 0
34 35 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 35
M SMT 2 CH2OH
M SVB 2 35 -3.1196 0.65
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 34 35
M SBL 1 1 37
M SMT 1 OCH3
M SVB 1 37 3.0699 1.7424
S SKP 8
ID FL5FAHGS0002
KNApSAcK_ID C00005763
NAME Laricitrin 7-glucoside
CAS_RN 89345-45-9
FORMULA C22H22O13
EXACTMASS 494.10604078999995
AVERAGEMASS 494.40228
SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c3c4O)OC(=C(C(=O)3)O)c(c2)cc(OC)c(O)c(O)2)CO)O)O
M END
