Mol:FL5FADGS0008
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.4816 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4816 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4816 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4816 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0747 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0747 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6310 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6310 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6310 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6310 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0747 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0747 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1873 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1873 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7436 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7436 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7436 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7436 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1873 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1873 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1873 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1873 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2997 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2997 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8666 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8666 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4336 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4336 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4336 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4336 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8666 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8666 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2997 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2997 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0377 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0377 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0747 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0747 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4336 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4336 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2997 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2997 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3055 -0.0143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.3055 -0.0143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.8631 -0.5982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.8631 -0.5982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.2260 -0.3505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.2260 -0.3505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.6113 -0.3439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.6113 -0.3439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.0580 0.1029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0580 0.1029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6153 -0.1912 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.6153 -0.1912 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.9179 -0.3678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9179 -0.3678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5528 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5528 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8610 -0.9633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8610 -0.9633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1501 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1501 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5916 2.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5916 2.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6441 0.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6441 0.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3918 0.5672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3918 0.5672 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 |
| − | 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 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 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 |
| − | 22 28 1 0 0 0 0 | + | 22 28 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 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 27 33 1 0 0 0 0 | + | 27 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 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 33 34 | + | M SAL 2 2 33 34 |
| − | M SBL 2 1 36 | + | M SBL 2 1 36 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 36 -2.7148 0.2072 | + | M SVB 2 36 -2.7148 0.2072 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 34 3.1501 1.7424 | + | M SVB 1 34 3.1501 1.7424 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FADGS0008 | + | ID FL5FADGS0008 |
| − | KNApSAcK_ID C00005530 | + | KNApSAcK_ID C00005530 |
| − | NAME Isorhamnetin 7-glucoside | + | NAME Isorhamnetin 7-glucoside |
| − | CAS_RN 6743-96-0 | + | CAS_RN 6743-96-0 |
| − | FORMULA C22H22O12 | + | FORMULA C22H22O12 |
| − | EXACTMASS 478.111126168 | + | EXACTMASS 478.111126168 |
| − | AVERAGEMASS 478.40288000000004 | + | AVERAGEMASS 478.40288000000004 |
| − | SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c3c4O)OC(=C(C(=O)3)O)c(c2)ccc(c(OC)2)O)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)ccc(c(OC)2)O)CO)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-0.4816 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4816 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0747 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6310 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6310 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0747 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1873 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7436 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7436 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1873 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1873 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2997 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8666 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4336 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4336 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8666 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2997 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0377 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0747 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4336 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2997 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3055 -0.0143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.8631 -0.5982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2260 -0.3505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6113 -0.3439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0580 0.1029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6153 -0.1912 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.9179 -0.3678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5528 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8610 -0.9633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1501 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5916 2.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6441 0.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3918 0.5672 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
20 15 1 0 0 0 0
8 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
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 18 1 0 0 0 0
16 31 1 0 0 0 0
31 32 1 0 0 0 0
27 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 36
M SMT 2 CH2OH
M SVB 2 36 -2.7148 0.2072
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SVB 1 34 3.1501 1.7424
S SKP 8
ID FL5FADGS0008
KNApSAcK_ID C00005530
NAME Isorhamnetin 7-glucoside
CAS_RN 6743-96-0
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c3c4O)OC(=C(C(=O)3)O)c(c2)ccc(c(OC)2)O)CO)O)O
M END
