Mol:FL2FA9GS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 43 47 0 0 0 0 0 0 0 0999 V2000 | + | 43 47 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.1129 1.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1129 1.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1129 0.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1129 0.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6015 0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6015 0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3158 0.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3158 0.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3158 1.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3158 1.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6015 1.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6015 1.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0302 0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0302 0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7446 0.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7446 0.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7446 1.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7446 1.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0302 1.8820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0302 1.8820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4588 1.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4588 1.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1868 1.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1868 1.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9150 1.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9150 1.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9150 2.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9150 2.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1868 3.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1868 3.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4588 2.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4588 2.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0302 -0.4662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0302 -0.4662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8271 1.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8271 1.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6015 -0.5925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6015 -0.5925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5620 1.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5620 1.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2257 2.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2257 2.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0411 1.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0411 1.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9795 1.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9795 1.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3160 1.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3160 1.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5005 1.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5005 1.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0279 1.0212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0279 1.0212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6016 1.3621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6016 1.3621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7455 0.9832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7455 0.9832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0930 -0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0930 -0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5950 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5950 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5527 -0.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5527 -0.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5164 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5164 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0145 -0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0145 -0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0567 -0.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0567 -0.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2506 0.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2506 0.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5288 -0.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5288 -0.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4603 -1.0320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4603 -1.0320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0930 -1.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0930 -1.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0930 -2.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0930 -2.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0930 -3.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0930 -3.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3290 -2.2509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3290 -2.2509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6868 2.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6868 2.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9150 2.5646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9150 2.5646 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 18 1 0 0 0 0 | + | 20 18 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 |
| − | 20 25 1 1 0 0 0 | + | 20 25 1 1 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 30 29 1 1 0 0 0 | + | 30 29 1 1 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 29 34 1 1 0 0 0 | + | 29 34 1 1 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 32 35 1 0 0 0 0 | + | 32 35 1 0 0 0 0 |
| − | 33 36 1 0 0 0 0 | + | 33 36 1 0 0 0 0 |
| − | 34 37 1 0 0 0 0 | + | 34 37 1 0 0 0 0 |
| − | 29 38 1 0 0 0 0 | + | 29 38 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 39 41 2 0 0 0 0 | + | 39 41 2 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 22 42 1 0 0 0 0 | + | 22 42 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 2 42 43 | + | M SAL 1 2 42 43 |
| − | M SBL 1 1 47 | + | M SBL 1 1 47 |
| − | M SMT 1 ^ CH2OH | + | M SMT 1 ^ CH2OH |
| − | M SBV 1 47 0.6457 -0.4820 | + | M SBV 1 47 0.6457 -0.4820 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FA9GS0004 | + | ID FL2FA9GS0004 |
| − | FORMULA C29H34O14 | + | FORMULA C29H34O14 |
| − | EXACTMASS 606.194855796 | + | EXACTMASS 606.194855796 |
| − | AVERAGEMASS 606.57186 | + | AVERAGEMASS 606.57186 |
| − | SMILES c(c3)(OC(O4)C(OC(C5OC(C)=O)OC(C)C(O)C(O)5)C(O)C(O)C(CO)4)cc(O1)c(c(O)3)C(CC(c(c2)cccc2)1)=O | + | SMILES c(c3)(OC(O4)C(OC(C5OC(C)=O)OC(C)C(O)C(O)5)C(O)C(O)C(CO)4)cc(O1)c(c(O)3)C(CC(c(c2)cccc2)1)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-0.1129 1.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1129 0.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6015 0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3158 0.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3158 1.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6015 1.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0302 0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7446 0.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7446 1.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0302 1.8820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4588 1.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1868 1.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9150 1.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9150 2.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1868 3.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4588 2.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0302 -0.4662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8271 1.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6015 -0.5925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5620 1.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2257 2.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0411 1.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9795 1.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3160 1.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5005 1.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0279 1.0212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6016 1.3621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7455 0.9832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0930 -0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5950 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5527 -0.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5164 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0145 -0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0567 -0.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2506 0.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5288 -0.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4603 -1.0320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0930 -1.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0930 -2.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0930 -3.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3290 -2.2509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6868 2.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9150 2.5646 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
20 18 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
20 25 1 1 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
25 28 1 0 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 1 0 0 0
29 34 1 1 0 0 0
28 30 1 0 0 0 0
32 35 1 0 0 0 0
33 36 1 0 0 0 0
34 37 1 0 0 0 0
29 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
39 41 2 0 0 0 0
42 43 1 0 0 0 0
22 42 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 42 43
M SBL 1 1 47
M SMT 1 ^ CH2OH
M SBV 1 47 0.6457 -0.4820
S SKP 5
ID FL2FA9GS0004
FORMULA C29H34O14
EXACTMASS 606.194855796
AVERAGEMASS 606.57186
SMILES c(c3)(OC(O4)C(OC(C5OC(C)=O)OC(C)C(O)C(O)5)C(O)C(O)C(CO)4)cc(O1)c(c(O)3)C(CC(c(c2)cccc2)1)=O
M END
