Mol:FL5FACGS0064
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 |
| − | -0.8742 1.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8742 1.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8742 0.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8742 0.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1597 0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1597 0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5548 0.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5548 0.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5548 1.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5548 1.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1597 1.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1597 1.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5886 0.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5886 0.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3030 0.4487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3030 0.4487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0175 0.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0175 0.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0175 -0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0175 -0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3030 -1.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3030 -1.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5886 -0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5886 -0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7319 0.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7319 0.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4464 0.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4464 0.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4464 -0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4464 -0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7319 -1.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7319 -1.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3017 -1.8832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3017 -1.8832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1609 0.4487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1609 0.4487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8742 -1.2013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8742 -1.2013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7231 -1.8465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7231 -1.8465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1467 1.6154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1467 1.6154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1833 0.0858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1833 0.0858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3825 1.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3825 1.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7557 1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7557 1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5795 1.0209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5795 1.0209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2626 0.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2626 0.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8895 1.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8895 1.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0657 1.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0657 1.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7306 1.4879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7306 1.4879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4591 0.8034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4591 0.8034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7913 1.8832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7913 1.8832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1760 0.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1760 0.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1609 0.6636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1609 0.6636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8337 -0.4492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8337 -0.4492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 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 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 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 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 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 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 21 1 0 0 0 0 | + | 24 21 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 32 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 3 32 33 34 | + | M SAL 1 3 32 33 34 |
| − | M SBL 1 1 37 | + | M SBL 1 1 37 |
| − | M SMT 1 COOH | + | M SMT 1 COOH |
| − | M SBV 1 37 -0.9134 0.0678 | + | M SBV 1 37 -0.9134 0.0678 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0064 | + | ID FL5FACGS0064 |
| − | FORMULA C21H18O13 | + | FORMULA C21H18O13 |
| − | EXACTMASS 478.07474066199995 | + | EXACTMASS 478.07474066199995 |
| − | AVERAGEMASS 478.35982 | + | AVERAGEMASS 478.35982 |
| − | SMILES C(C(C(O)=O)1)(O)C(C(C(Oc(c4)c(O)cc(c4)C(=C3O)Oc(c2)c(C3=O)c(cc(O)2)O)O1)O)O | + | SMILES C(C(C(O)=O)1)(O)C(C(C(Oc(c4)c(O)cc(c4)C(=C3O)Oc(c2)c(C3=O)c(cc(O)2)O)O1)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
-0.8742 1.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8742 0.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1597 0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5548 0.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5548 1.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1597 1.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5886 0.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3030 0.4487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0175 0.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0175 -0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3030 -1.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5886 -0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7319 0.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4464 0.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4464 -0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7319 -1.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3017 -1.8832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1609 0.4487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8742 -1.2013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7231 -1.8465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1467 1.6154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1833 0.0858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3825 1.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7557 1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5795 1.0209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2626 0.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8895 1.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0657 1.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7306 1.4879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4591 0.8034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7913 1.8832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1760 0.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1609 0.6636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8337 -0.4492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
27 30 1 0 0 0 0
23 31 1 0 0 0 0
24 21 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
26 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 32 33 34
M SBL 1 1 37
M SMT 1 COOH
M SBV 1 37 -0.9134 0.0678
S SKP 5
ID FL5FACGS0064
FORMULA C21H18O13
EXACTMASS 478.07474066199995
AVERAGEMASS 478.35982
SMILES C(C(C(O)=O)1)(O)C(C(C(Oc(c4)c(O)cc(c4)C(=C3O)Oc(c2)c(C3=O)c(cc(O)2)O)O1)O)O
M END
