Mol:FL3FEAGS0021
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -0.1856 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1856 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1856 -0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1856 -0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2655 -0.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2655 -0.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7165 -0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7165 -0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7165 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7165 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2655 0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2655 0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1676 -0.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1676 -0.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6187 -0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6187 -0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6187 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6187 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1676 0.3022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1676 0.3022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3392 -1.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3392 -1.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0696 0.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0696 0.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5293 0.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5293 0.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9890 0.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9890 0.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9890 0.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9890 0.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5293 1.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5293 1.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0696 0.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0696 0.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1951 -1.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1951 -1.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2048 1.2678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.2048 1.2678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -0.8739 0.5582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8739 0.5582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6842 3.2864 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -0.6842 3.2864 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -1.4071 2.8321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.4071 2.8321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.1841 2.0672 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -1.1841 2.0672 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.6749 1.8262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6749 1.8262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9597 2.5031 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.9597 2.5031 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.0325 4.0334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0325 4.0334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3760 3.6362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3760 3.6362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9327 1.7057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9327 1.7057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6870 1.1309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6870 1.1309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4014 0.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4014 0.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7618 -0.9282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7618 -0.9282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5504 -1.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5504 -1.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5436 2.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5436 2.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0884 3.3532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0884 3.3532 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 |
| − | 18 3 1 0 0 0 0 | + | 18 3 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 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 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 21 1 0 0 0 0 | + | 25 21 1 0 0 0 0 |
| − | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
| − | 22 27 1 0 0 0 0 | + | 22 27 1 0 0 0 0 |
| − | 23 28 1 0 0 0 0 | + | 23 28 1 0 0 0 0 |
| − | 19 23 1 1 0 0 0 | + | 19 23 1 1 0 0 0 |
| − | 19 24 1 0 0 0 0 | + | 19 24 1 0 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 2 31 1 0 0 0 0 | + | 2 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 33 34 | + | M SAL 3 2 33 34 |
| − | M SBL 3 1 36 | + | M SBL 3 1 36 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 36 -3.238 0.5624 | + | M SVB 3 36 -3.238 0.5624 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 31 32 | + | M SAL 2 2 31 32 |
| − | M SBL 2 1 34 | + | M SBL 2 1 34 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 34 -0.9001 -0.3264 | + | M SVB 2 34 -0.9001 -0.3264 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 32 3.687 1.1309 | + | M SVB 1 32 3.687 1.1309 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FEAGS0021 | + | ID FL3FEAGS0021 |
| − | KNApSAcK_ID C00004237 | + | KNApSAcK_ID C00004237 |
| − | NAME Pectolinarigenin 7-glucoside | + | NAME Pectolinarigenin 7-glucoside |
| − | CAS_RN 53452-12-3 | + | CAS_RN 53452-12-3 |
| − | FORMULA C23H24O11 | + | FORMULA C23H24O11 |
| − | EXACTMASS 476.13186161 | + | EXACTMASS 476.13186161 |
| − | AVERAGEMASS 476.43006 | + | AVERAGEMASS 476.43006 |
| − | SMILES c(c1)(O3)c(C(=O)C=C(c(c4)ccc(OC)c4)3)c(c(c1O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)OC)O | + | SMILES c(c1)(O3)c(C(=O)C=C(c(c4)ccc(OC)c4)3)c(c(c1O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)OC)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/
34 37 0 0 0 0 0 0 0 0999 V2000
-0.1856 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1856 -0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2655 -0.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7165 -0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7165 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2655 0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1676 -0.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6187 -0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6187 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1676 0.3022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3392 -1.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0696 0.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5293 0.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9890 0.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9890 0.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5293 1.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0696 0.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1951 -1.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2048 1.2678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8739 0.5582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6842 3.2864 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.4071 2.8321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1841 2.0672 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.6749 1.8262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9597 2.5031 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.0325 4.0334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3760 3.6362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9327 1.7057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6870 1.1309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4014 0.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7618 -0.9282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5504 -1.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5436 2.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0884 3.3532 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
18 3 1 0 0 0 0
19 20 1 0 0 0 0
20 1 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 25 1 0 0 0 0
25 21 1 0 0 0 0
21 26 1 0 0 0 0
22 27 1 0 0 0 0
23 28 1 0 0 0 0
19 23 1 1 0 0 0
19 24 1 0 0 0 0
15 29 1 0 0 0 0
29 30 1 0 0 0 0
2 31 1 0 0 0 0
31 32 1 0 0 0 0
25 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 33 34
M SBL 3 1 36
M SMT 3 CH2OH
M SVB 3 36 -3.238 0.5624
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 34
M SMT 2 OCH3
M SVB 2 34 -0.9001 -0.3264
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 OCH3
M SVB 1 32 3.687 1.1309
S SKP 8
ID FL3FEAGS0021
KNApSAcK_ID C00004237
NAME Pectolinarigenin 7-glucoside
CAS_RN 53452-12-3
FORMULA C23H24O11
EXACTMASS 476.13186161
AVERAGEMASS 476.43006
SMILES c(c1)(O3)c(C(=O)C=C(c(c4)ccc(OC)c4)3)c(c(c1O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)OC)O
M END
