Mol:FL3FACGS0015
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -2.4206 -1.8650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4206 -1.8650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4206 -2.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4206 -2.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7195 -3.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7195 -3.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0184 -2.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0184 -2.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0184 -1.8650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0184 -1.8650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7195 -1.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7195 -1.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3174 -3.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3174 -3.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3837 -2.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3837 -2.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3837 -1.8650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3837 -1.8650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3174 -1.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3174 -1.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3160 -3.8975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3160 -3.8975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0846 -1.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0846 -1.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7991 -1.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7991 -1.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5135 -1.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5135 -1.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5135 -0.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5135 -0.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7991 -0.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7991 -0.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0846 -0.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0846 -0.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2280 -1.3989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2280 -1.3989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7195 -3.8871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7195 -3.8871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2280 -0.2229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2280 -0.2229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0512 2.9018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0512 2.9018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1560 2.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1560 2.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5351 1.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5351 1.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9354 1.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9354 1.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1428 1.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1428 1.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4515 2.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4515 2.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3958 3.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3958 3.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4517 2.6404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4517 2.6404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5351 0.7922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5351 0.7922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8025 0.8501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8025 0.8501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4515 3.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4515 3.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0294 3.8975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0294 3.8975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4131 3.0646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4131 3.0646 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 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 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 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 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 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 |
| − | 16 30 1 0 0 0 0 | + | 16 30 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
| − | 26 31 1 0 0 0 0 | + | 26 31 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 31 32 33 | + | M SAL 1 3 31 32 33 |
| − | M SBL 1 1 36 | + | M SBL 1 1 36 |
| − | M SMT 1 COOH | + | M SMT 1 COOH |
| − | M SBV 1 36 0.0000 -0.8563 | + | M SBV 1 36 0.0000 -0.8563 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACGS0015 | + | ID FL3FACGS0015 |
| − | FORMULA C21H18O12 | + | FORMULA C21H18O12 |
| − | EXACTMASS 462.07982604 | + | EXACTMASS 462.07982604 |
| − | AVERAGEMASS 462.36042 | + | AVERAGEMASS 462.36042 |
| − | SMILES C(C(C(O)=O)1)(O)C(C(C(Oc(c(O)4)cc(cc4)C(=C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)O1)O)O | + | SMILES C(C(C(O)=O)1)(O)C(C(C(Oc(c(O)4)cc(cc4)C(=C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)O1)O)O |
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
-2.4206 -1.8650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4206 -2.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7195 -3.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0184 -2.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0184 -1.8650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7195 -1.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3174 -3.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3837 -2.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3837 -1.8650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3174 -1.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3160 -3.8975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0846 -1.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7991 -1.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5135 -1.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5135 -0.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7991 -0.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0846 -0.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2280 -1.3989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7195 -3.8871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2280 -0.2229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0512 2.9018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1560 2.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5351 1.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9354 1.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1428 1.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4515 2.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3958 3.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4517 2.6404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5351 0.7922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8025 0.8501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4515 3.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0294 3.8975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4131 3.0646 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 1 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
16 30 1 0 0 0 0
31 32 2 0 0 0 0
31 33 1 0 0 0 0
26 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 31 32 33
M SBL 1 1 36
M SMT 1 COOH
M SBV 1 36 0.0000 -0.8563
S SKP 5
ID FL3FACGS0015
FORMULA C21H18O12
EXACTMASS 462.07982604
AVERAGEMASS 462.36042
SMILES C(C(C(O)=O)1)(O)C(C(C(Oc(c(O)4)cc(cc4)C(=C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)O1)O)O
M END
