Mol:FL3FAIGS0011
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 |
| − | 2.3856 0.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3856 0.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3856 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3856 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1000 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1000 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8145 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8145 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8145 0.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8145 0.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1000 1.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1000 1.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6711 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6711 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9566 0.0409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9566 0.0409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2422 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2422 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2422 -1.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2422 -1.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9566 -1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9566 -1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6711 -1.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6711 -1.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4723 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4723 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1868 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1868 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1868 -1.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1868 -1.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4723 -1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4723 -1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9566 -2.3274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9566 -2.3274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9013 0.0409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9013 0.0409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4723 -2.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4723 -2.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3464 1.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3464 1.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1000 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1000 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4276 -0.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4276 -0.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7831 2.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7831 2.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1378 0.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1378 0.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5776 0.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5776 0.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1651 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1651 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3670 0.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3670 0.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5738 -0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5738 -0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9862 0.5302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9862 0.5302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7844 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7844 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9542 -0.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9542 -0.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8223 -0.0949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8223 -0.0949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1378 0.3755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1378 0.3755 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 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 28 27 1 1 0 0 0 | + | 28 27 1 1 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 25 1 0 0 0 0 | + | 30 25 1 0 0 0 0 |
| − | 28 18 1 0 0 0 0 | + | 28 18 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAIGS0011 | + | ID FL3FAIGS0011 |
| − | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
| − | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
| − | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
| − | SMILES c(c3)(c(c(cc3OC(C(O)4)OCC(C(O)4)O)O)1)OC(c(c2)cc(c(c(OC)2)O)OC)=CC1=O | + | SMILES c(c3)(c(c(cc3OC(C(O)4)OCC(C(O)4)O)O)1)OC(c(c2)cc(c(c(OC)2)O)OC)=CC1=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
2.3856 0.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3856 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1000 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8145 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8145 0.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1000 1.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6711 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9566 0.0409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2422 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2422 -1.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9566 -1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6711 -1.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4723 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1868 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1868 -1.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4723 -1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9566 -2.3274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9013 0.0409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4723 -2.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3464 1.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1000 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4276 -0.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7831 2.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1378 0.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5776 0.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1651 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3670 0.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5738 -0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9862 0.5302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7844 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9542 -0.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8223 -0.0949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1378 0.3755 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
16 19 1 0 0 0 0
5 20 1 0 0 0 0
6 21 1 0 0 0 0
4 22 1 0 0 0 0
21 23 1 0 0 0 0
22 24 1 0 0 0 0
25 26 1 1 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
28 18 1 0 0 0 0
27 31 1 0 0 0 0
26 32 1 0 0 0 0
25 33 1 0 0 0 0
S SKP 5
ID FL3FAIGS0011
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES c(c3)(c(c(cc3OC(C(O)4)OCC(C(O)4)O)O)1)OC(c(c2)cc(c(c(OC)2)O)OC)=CC1=O
M END
