Mol:FL3FECGS0018
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 44 48 0 0 0 0 0 0 0 0999 V2000 | + | 44 48 0 0 0 0 0 0 0 0999 V2000 |
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| − | 0.4096 -1.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4096 -1.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.3118 -1.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3118 -1.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 |
| − | 16 18 1 0 0 0 0 | + | 16 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 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 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 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 33 29 1 0 0 0 0 | + | 33 29 1 0 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
| − | 37 33 1 0 0 0 0 | + | 37 33 1 0 0 0 0 |
| − | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
| − | 35 41 1 0 0 0 0 | + | 35 41 1 0 0 0 0 |
| − | 36 42 1 0 0 0 0 | + | 36 42 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 39 43 1 0 0 0 0 | + | 39 43 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 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 43 44 | + | M SAL 1 2 43 44 |
| − | M SBL 1 1 47 | + | M SBL 1 1 47 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SVB 1 47 -2.8557 1.0455 | + | M SVB 1 47 -2.8557 1.0455 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FECGS0018 | + | ID FL3FECGS0018 |
| − | KNApSAcK_ID C00004393 | + | KNApSAcK_ID C00004393 |
| − | NAME 6-Hydroxyluteolin 7-gentiobioside | + | NAME 6-Hydroxyluteolin 7-gentiobioside |
| − | CAS_RN 92122-75-3 | + | CAS_RN 92122-75-3 |
| − | FORMULA C27H30O17 | + | FORMULA C27H30O17 |
| − | EXACTMASS 626.148299534 | + | EXACTMASS 626.148299534 |
| − | AVERAGEMASS 626.5169000000001 | + | AVERAGEMASS 626.5169000000001 |
| − | SMILES Oc(c43)c(c(cc(OC(c(c5)ccc(c5O)O)=CC4=O)3)O[C@@H]([C@H]1O)OC(CO[C@@H]([C@H]2O)OC([C@@H]([C@H](O)2)O)CO)[C@@H]([C@@H]1O)O)O | + | SMILES Oc(c43)c(c(cc(OC(c(c5)ccc(c5O)O)=CC4=O)3)O[C@@H]([C@H]1O)OC(CO[C@@H]([C@H]2O)OC([C@@H]([C@H](O)2)O)CO)[C@@H]([C@@H]1O)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/
44 48 0 0 0 0 0 0 0 0999 V2000
0.4096 -0.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4096 -1.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8607 -1.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3118 -1.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3118 -0.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8607 -0.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7628 -1.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2139 -1.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2139 -0.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7628 -0.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9345 -1.9639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6648 -0.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1245 -0.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5842 -0.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5842 -0.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1245 0.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6648 -0.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1245 0.8456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1744 0.3172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8607 -2.1158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0405 -0.5549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0405 -1.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6799 -0.6396 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1643 -1.3202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4218 -1.0315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.7053 -1.0238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.2260 -0.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8755 -0.8459 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.1437 -0.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3937 -1.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9681 -1.3594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9963 -1.7457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8895 -0.1652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6526 1.7323 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.1383 1.2466 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.7981 0.6498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.7981 -0.0369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.3124 0.4487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6526 1.0455 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.4312 2.1158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-4.1744 0.2735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8557 1.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3557 1.9115 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
16 18 1 0 0 0 0
19 15 1 0 0 0 0
3 20 1 0 0 0 0
1 21 1 0 0 0 0
2 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
28 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
33 29 1 0 0 0 0
34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
37 33 1 0 0 0 0
34 40 1 0 0 0 0
35 41 1 0 0 0 0
36 42 1 0 0 0 0
26 21 1 0 0 0 0
39 43 1 0 0 0 0
43 44 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 43 44
M SBL 1 1 47
M SMT 1 CH2OH
M SVB 1 47 -2.8557 1.0455
S SKP 8
ID FL3FECGS0018
KNApSAcK_ID C00004393
NAME 6-Hydroxyluteolin 7-gentiobioside
CAS_RN 92122-75-3
FORMULA C27H30O17
EXACTMASS 626.148299534
AVERAGEMASS 626.5169000000001
SMILES Oc(c43)c(c(cc(OC(c(c5)ccc(c5O)O)=CC4=O)3)O[C@@H]([C@H]1O)OC(CO[C@@H]([C@H]2O)OC([C@@H]([C@H](O)2)O)CO)[C@@H]([C@@H]1O)O)O
M END
