Mol:FL3FECGS0006
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 |
| − | -0.7622 -0.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7622 -0.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7622 -0.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7622 -0.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0612 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0612 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6399 -0.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6399 -0.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6399 -0.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6399 -0.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0612 0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0612 0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3410 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3410 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0419 -0.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0419 -0.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0419 -0.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0419 -0.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3410 0.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3410 0.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3410 -2.0391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3410 -2.0391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7427 0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7427 0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4572 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4572 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1718 0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1718 0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1718 1.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1718 1.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4572 1.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4572 1.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7427 1.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7427 1.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4572 2.2970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4572 2.2970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9190 1.5910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9190 1.5910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0612 -2.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0612 -2.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4617 0.3338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4617 0.3338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4617 -1.2835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4617 -1.2835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3501 -1.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3501 -1.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7891 -2.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7891 -2.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9813 -1.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9813 -1.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2018 -1.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2018 -1.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7682 -1.2732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7682 -1.2732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4749 -1.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4749 -1.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9190 -1.7066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9190 -1.7066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4208 -2.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4208 -2.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2039 -2.2970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2039 -2.2970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0103 -1.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0103 -1.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9079 -1.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9079 -1.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5619 -0.3340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5619 -0.3340 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 |
| − | 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 |
| − | 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 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 26 22 1 0 0 0 0 | + | 26 22 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 |
| − | 28 32 1 0 0 0 0 | + | 28 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 0.5354 -0.5354 | + | M SBV 1 37 0.5354 -0.5354 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FECGS0006 | + | ID FL3FECGS0006 |
| − | FORMULA C21H18O13 | + | FORMULA C21H18O13 |
| − | EXACTMASS 478.07474066199995 | + | EXACTMASS 478.07474066199995 |
| − | AVERAGEMASS 478.35982 | + | AVERAGEMASS 478.35982 |
| − | SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)1)c(O)cc(O2)c(C(=O)C=C2c(c3)cc(c(O)c3)O)1)O)O | + | SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)1)c(O)cc(O2)c(C(=O)C=C2c(c3)cc(c(O)c3)O)1)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
-0.7622 -0.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7622 -0.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0612 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6399 -0.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6399 -0.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0612 0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3410 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0419 -0.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0419 -0.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3410 0.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3410 -2.0391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7427 0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4572 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1718 0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1718 1.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4572 1.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7427 1.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4572 2.2970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9190 1.5910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0612 -2.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4617 0.3338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4617 -1.2835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3501 -1.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7891 -2.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9813 -1.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2018 -1.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7682 -1.2732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4749 -1.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9190 -1.7066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4208 -2.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2039 -2.2970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0103 -1.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9079 -1.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5619 -0.3340 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
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 22 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
28 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 0.5354 -0.5354
S SKP 5
ID FL3FECGS0006
FORMULA C21H18O13
EXACTMASS 478.07474066199995
AVERAGEMASS 478.35982
SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)1)c(O)cc(O2)c(C(=O)C=C2c(c3)cc(c(O)c3)O)1)O)O
M END
