Mol:FL2FACGS0009
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -1.2436 0.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2436 0.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2436 -0.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2436 -0.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6873 -0.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6873 -0.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1310 -0.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1310 -0.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1310 0.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1310 0.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6873 0.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6873 0.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4253 -0.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4253 -0.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9816 -0.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9816 -0.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9816 0.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9816 0.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4253 0.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4253 0.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5377 0.5908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5377 0.5908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1047 0.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1047 0.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6717 0.5908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6717 0.5908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6717 1.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6717 1.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1047 1.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1047 1.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5377 1.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5377 1.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4253 -1.2376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4253 -1.2376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6873 -1.3359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6873 -1.3359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7999 0.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7999 0.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1047 2.2273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1047 2.2273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3110 1.6146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3110 1.6146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9816 0.9238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9816 0.9238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8405 -1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8405 -1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5344 -1.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5344 -1.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9422 -1.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9422 -1.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3537 -1.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3537 -1.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6597 -1.3220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6597 -1.3220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2519 -1.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2519 -1.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3110 -1.4349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3110 -1.4349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0584 -1.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0584 -1.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6285 -2.2273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6285 -2.2273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0549 -0.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0549 -0.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3404 -1.3633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3404 -1.3633 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 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 21 14 1 0 0 0 0 | + | 21 14 1 0 0 0 0 |
| − | 9 22 1 0 0 0 0 | + | 9 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 |
| − | 18 26 1 0 0 0 0 | + | 18 26 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 |
| − | 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 |
| − | 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 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 35 -7.6631 6.1172 | + | M SBV 1 35 -7.6631 6.1172 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FACGS0009 | + | ID FL2FACGS0009 |
| − | KNApSAcK_ID C00008353 | + | KNApSAcK_ID C00008353 |
| − | NAME 2,5,7,3',4'-Pentahydroxyflavanone 5-O-glucoside | + | NAME 2,5,7,3',4'-Pentahydroxyflavanone 5-O-glucoside |
| − | CAS_RN 57943-73-4 | + | CAS_RN 57943-73-4 |
| − | FORMULA C21H22O12 | + | FORMULA C21H22O12 |
| − | EXACTMASS 466.111126168 | + | EXACTMASS 466.111126168 |
| − | AVERAGEMASS 466.39218 | + | AVERAGEMASS 466.39218 |
| − | SMILES C(C1Oc(c42)cc(O)cc2OC(CC4=O)(c(c3)cc(c(O)c3)O)O)(O)C(O)C(O)C(O1)CO | + | SMILES C(C1Oc(c42)cc(O)cc2OC(CC4=O)(c(c3)cc(c(O)c3)O)O)(O)C(O)C(O)C(O1)CO |
M END | M END | ||
| − | |||
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
-1.2436 0.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2436 -0.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6873 -0.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1310 -0.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1310 0.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6873 0.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4253 -0.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9816 -0.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9816 0.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4253 0.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5377 0.5908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1047 0.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6717 0.5908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6717 1.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1047 1.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5377 1.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4253 -1.2376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6873 -1.3359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7999 0.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1047 2.2273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3110 1.6146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9816 0.9238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8405 -1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5344 -1.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9422 -1.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3537 -1.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6597 -1.3220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2519 -1.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3110 -1.4349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0584 -1.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6285 -2.2273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0549 -0.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3404 -1.3633 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 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
3 18 1 0 0 0 0
19 1 1 0 0 0 0
15 20 1 0 0 0 0
21 14 1 0 0 0 0
9 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
18 26 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
28 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 35
M SMT 1 CH2OH
M SBV 1 35 -7.6631 6.1172
S SKP 8
ID FL2FACGS0009
KNApSAcK_ID C00008353
NAME 2,5,7,3',4'-Pentahydroxyflavanone 5-O-glucoside
CAS_RN 57943-73-4
FORMULA C21H22O12
EXACTMASS 466.111126168
AVERAGEMASS 466.39218
SMILES C(C1Oc(c42)cc(O)cc2OC(CC4=O)(c(c3)cc(c(O)c3)O)O)(O)C(O)C(O)C(O1)CO
M END
