Mol:FL2FAEGS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0539 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0539 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0539 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0539 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4976 -1.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4976 -1.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0587 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0587 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0587 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0587 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4976 0.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4976 0.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6150 -1.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6150 -1.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1713 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1713 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1713 -0.2079 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.1713 -0.2079 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.6150 0.1133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6150 0.1133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7274 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7274 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2944 -0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2944 -0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8613 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8613 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8613 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8613 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2944 1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2944 1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7274 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7274 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6150 -1.7152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6150 -1.7152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6100 0.1132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6100 0.1132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2944 1.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2944 1.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4976 -1.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4976 -1.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6330 -0.0201 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.6330 -0.0201 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -3.2648 -0.5061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.2648 -0.5061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.7347 -0.2999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.7347 -0.2999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.2231 -0.2944 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.2231 -0.2944 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.5948 0.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5948 0.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0586 -0.1674 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -3.0586 -0.1674 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -4.1424 0.2741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1424 0.2741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6123 -0.9635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6123 -0.9635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4309 -0.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4309 -0.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3385 0.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3385 0.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6471 1.5151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6471 1.5151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4282 1.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4282 1.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1426 0.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1426 0.6826 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 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 |
| − | 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 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 14 32 1 0 0 0 0 | + | 14 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 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 30 31 | + | M SAL 2 2 30 31 |
| − | M SBL 2 1 33 | + | M SBL 2 1 33 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 33 -2.7655 0.2624 | + | M SVB 2 33 -2.7655 0.2624 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 35 3.4282 1.0951 | + | M SVB 1 35 3.4282 1.0951 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAEGS0004 | + | ID FL2FAEGS0004 |
| − | KNApSAcK_ID C00008297 | + | KNApSAcK_ID C00008297 |
| − | NAME Hesperetin 7-O-glucoside | + | NAME Hesperetin 7-O-glucoside |
| − | CAS_RN 2500-68-7 | + | CAS_RN 2500-68-7 |
| − | FORMULA C22H24O11 | + | FORMULA C22H24O11 |
| − | EXACTMASS 464.13186161 | + | EXACTMASS 464.13186161 |
| − | AVERAGEMASS 464.41936000000004 | + | AVERAGEMASS 464.41936000000004 |
| − | SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c(c4O)2)OC(c(c3)ccc(c3O)OC)CC2=O)CO)O)O | + | SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c(c4O)2)OC(c(c3)ccc(c3O)OC)CC2=O)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/
33 36 0 0 0 0 0 0 0 0999 V2000
-1.0539 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0539 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4976 -1.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0587 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0587 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4976 0.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6150 -1.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1713 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1713 -0.2079 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.6150 0.1133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7274 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2944 -0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8613 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8613 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2944 1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7274 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6150 -1.7152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6100 0.1132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2944 1.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4976 -1.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6330 -0.0201 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.2648 -0.5061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7347 -0.2999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2231 -0.2944 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5948 0.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0586 -0.1674 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.1424 0.2741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6123 -0.9635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4309 -0.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3385 0.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6471 1.5151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4282 1.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1426 0.6826 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 1 0 0 0 0
9 10 1 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
7 17 2 0 0 0 0
1 18 1 0 0 0 0
19 15 1 0 0 0 0
3 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 18 1 0 0 0 0
26 30 1 0 0 0 0
30 31 1 0 0 0 0
14 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 30 31
M SBL 2 1 33
M SMT 2 CH2OH
M SVB 2 33 -2.7655 0.2624
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 35
M SMT 1 OCH3
M SVB 1 35 3.4282 1.0951
S SKP 8
ID FL2FAEGS0004
KNApSAcK_ID C00008297
NAME Hesperetin 7-O-glucoside
CAS_RN 2500-68-7
FORMULA C22H24O11
EXACTMASS 464.13186161
AVERAGEMASS 464.41936000000004
SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c(c4O)2)OC(c(c3)ccc(c3O)OC)CC2=O)CO)O)O
M END
