Mol:FL5FFCGS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4743 1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4743 1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4743 0.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4743 0.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7731 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7731 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0720 0.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0720 0.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0719 1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0719 1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7731 1.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7731 1.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3706 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3706 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3305 0.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3305 0.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3306 1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3306 1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3706 1.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3706 1.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3706 -0.5610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3706 -0.5610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0315 1.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0315 1.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7461 1.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7461 1.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4608 1.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4608 1.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4607 2.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4607 2.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7461 3.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7461 3.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0315 2.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0315 2.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1752 1.7729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1752 1.7729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1651 0.1009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1651 0.1009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0957 -0.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0957 -0.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1516 -0.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1516 -0.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6543 -1.4682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6543 -1.4682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6395 -2.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6395 -2.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5836 -2.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5836 -2.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0810 -1.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0810 -1.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7257 -0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7257 -0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7988 -2.1662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7988 -2.1662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4699 -3.2304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4699 -3.2304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1752 3.0106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1752 3.0106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7731 -0.5403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7731 -0.5403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7461 3.8358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7461 3.8358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7731 2.5824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7731 2.5824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8397 -3.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8397 -3.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9391 -3.1085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9391 -3.1085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5964 -3.8358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5964 -3.8358 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 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 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 19 8 1 0 0 0 0 | + | 19 8 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 3 30 1 0 0 0 0 | + | 3 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | 6 32 1 0 0 0 0 | + | 6 32 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 23 33 1 0 0 0 0 | + | 23 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 3 33 34 35 | + | M SAL 1 3 33 34 35 |
| − | M SBL 1 1 38 | + | M SBL 1 1 38 |
| − | M SMT 1 COOH | + | M SMT 1 COOH |
| − | M SBV 1 38 -0.2002 1.1775 | + | M SBV 1 38 -0.2002 1.1775 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FFCGS0002 | + | ID FL5FFCGS0002 |
| − | FORMULA C21H18O14 | + | FORMULA C21H18O14 |
| − | EXACTMASS 494.06965528399996 | + | EXACTMASS 494.06965528399996 |
| − | AVERAGEMASS 494.35922 | + | AVERAGEMASS 494.35922 |
| − | SMILES C(C(C(O)=O)1)(O)C(C(C(OC(=C3c(c4)cc(c(O)c4)O)C(c(c2O3)c(cc(c2O)O)O)=O)O1)O)O | + | SMILES C(C(C(O)=O)1)(O)C(C(C(OC(=C3c(c4)cc(c(O)c4)O)C(c(c2O3)c(cc(c2O)O)O)=O)O1)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-2.4743 1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4743 0.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7731 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0720 0.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0719 1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7731 1.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3706 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3305 0.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3306 1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3706 1.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3706 -0.5610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0315 1.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7461 1.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4608 1.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4607 2.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7461 3.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0315 2.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1752 1.7729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1651 0.1009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0957 -0.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1516 -0.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6543 -1.4682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6395 -2.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5836 -2.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0810 -1.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7257 -0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7988 -2.1662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4699 -3.2304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1752 3.0106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7731 -0.5403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7461 3.8358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7731 2.5824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8397 -3.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9391 -3.1085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5964 -3.8358 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
1 18 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
23 22 1 1 0 0 0
15 29 1 0 0 0 0
3 30 1 0 0 0 0
16 31 1 0 0 0 0
6 32 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
23 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 33 34 35
M SBL 1 1 38
M SMT 1 COOH
M SBV 1 38 -0.2002 1.1775
S SKP 5
ID FL5FFCGS0002
FORMULA C21H18O14
EXACTMASS 494.06965528399996
AVERAGEMASS 494.35922
SMILES C(C(C(O)=O)1)(O)C(C(C(OC(=C3c(c4)cc(c(O)c4)O)C(c(c2O3)c(cc(c2O)O)O)=O)O1)O)O
M END
