Mol:FL3FACCS0007
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7844 0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7844 0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7844 -0.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7844 -0.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0697 -0.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0697 -0.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3550 -0.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3550 -0.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3550 0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3550 0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0697 0.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0697 0.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3597 -0.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3597 -0.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0744 -0.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0744 -0.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0744 0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0744 0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3597 0.9669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3597 0.9669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0697 -1.5087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0697 -1.5087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4989 0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4989 0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7946 0.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7946 0.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4739 0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4739 0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1533 0.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1533 0.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1533 1.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1533 1.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4739 2.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4739 2.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7946 1.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7946 1.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8325 2.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8325 2.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3597 -1.5128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3597 -1.5128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4610 -1.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4610 -1.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2488 -2.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2488 -2.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8508 -1.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8508 -1.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1307 -1.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1307 -1.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3428 -0.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3428 -0.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7409 -1.3463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7409 -1.3463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7991 -2.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7991 -2.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7901 -2.9572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7901 -2.9572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8325 -2.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8325 -2.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4739 2.9572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4739 2.9572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8180 -0.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8180 -0.8632 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 |
| − | 3 11 1 0 0 0 0 | + | 3 11 1 0 0 0 0 |
| − | 1 12 1 0 0 0 0 | + | 1 12 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 7 20 2 0 0 0 0 | + | 7 20 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 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 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 2 25 1 0 0 0 0 | + | 2 25 1 0 0 0 0 |
| − | 17 30 1 0 0 0 0 | + | 17 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACCS0007 | + | ID FL3FACCS0007 |
| − | FORMULA C21H20O10 | + | FORMULA C21H20O10 |
| − | EXACTMASS 432.10564686 | + | EXACTMASS 432.10564686 |
| − | AVERAGEMASS 432.37749999999994 | + | AVERAGEMASS 432.37749999999994 |
| − | SMILES c(c1)c(C(=C4)Oc(c3)c(C(=O)4)c(c(c(O)3)C(C(O)2)OC(C)C(O)C2O)O)cc(c(O)1)O | + | SMILES c(c1)c(C(=C4)Oc(c3)c(C(=O)4)c(c(c(O)3)C(C(O)2)OC(C)C(O)C2O)O)cc(c(O)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.7844 0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7844 -0.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0697 -0.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3550 -0.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3550 0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0697 0.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3597 -0.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0744 -0.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0744 0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3597 0.9669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0697 -1.5087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4989 0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7946 0.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4739 0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1533 0.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1533 1.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4739 2.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7946 1.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8325 2.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3597 -1.5128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4610 -1.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2488 -2.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8508 -1.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1307 -1.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3428 -0.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7409 -1.3463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7991 -2.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7901 -2.9572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8325 -2.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4739 2.9572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8180 -0.8632 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
3 11 1 0 0 0 0
1 12 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
9 13 1 0 0 0 0
16 19 1 0 0 0 0
7 20 2 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
23 27 1 0 0 0 0
22 28 1 0 0 0 0
21 29 1 0 0 0 0
2 25 1 0 0 0 0
17 30 1 0 0 0 0
24 31 1 0 0 0 0
S SKP 5
ID FL3FACCS0007
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES c(c1)c(C(=C4)Oc(c3)c(C(=O)4)c(c(c(O)3)C(C(O)2)OC(C)C(O)C2O)O)cc(c(O)1)O
M END
