Mol:FL5FCCGA0004
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 44 48 0 0 0 0 0 0 0 0999 V2000 | + | 44 48 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.2623 1.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2623 1.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2623 0.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2623 0.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5613 -0.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5613 -0.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8603 0.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8603 0.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8603 1.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8603 1.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5613 1.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5613 1.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1593 -0.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1593 -0.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4583 0.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4583 0.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4583 1.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4583 1.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1593 1.4572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1593 1.4572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1593 -0.7927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1593 -0.7927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2425 1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2425 1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9570 1.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9570 1.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6714 1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6714 1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6714 2.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6714 2.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9570 2.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9570 2.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2425 2.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2425 2.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5613 -0.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5613 -0.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5933 -1.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5933 -1.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1049 -2.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1049 -2.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0443 -2.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0443 -2.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9893 -2.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9893 -2.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5271 -1.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5271 -1.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5384 -2.1174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5384 -2.1174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6711 -1.9211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6711 -1.9211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6292 0.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6292 0.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1408 -0.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1408 -0.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0801 -0.2759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0801 -0.2759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0252 -0.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0252 -0.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5137 0.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5137 0.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5743 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5743 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3839 -0.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3839 -0.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9007 0.4956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9007 0.4956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4491 1.0621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4491 1.0621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7649 -0.3712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7649 -0.3712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2808 -0.9802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2808 -0.9802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3215 -2.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3215 -2.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4523 -3.1229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4523 -3.1229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9893 -3.5193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9893 -3.5193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9356 0.2909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9356 0.2909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3858 2.6945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3858 2.6945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9570 3.5193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9570 3.5193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8971 1.4190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8971 1.4190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5271 2.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5271 2.5104 0.0000 C 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 28 29 1 1 0 0 0 | + | 28 29 1 1 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 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
| − | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
| − | 30 34 1 0 0 0 0 | + | 30 34 1 0 0 0 0 |
| − | 29 35 1 0 0 0 0 | + | 29 35 1 0 0 0 0 |
| − | 23 36 1 0 0 0 0 | + | 23 36 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 20 37 1 0 0 0 0 | + | 20 37 1 0 0 0 0 |
| − | 21 38 1 0 0 0 0 | + | 21 38 1 0 0 0 0 |
| − | 22 39 1 0 0 0 0 | + | 22 39 1 0 0 0 0 |
| − | 32 8 1 0 0 0 0 | + | 32 8 1 0 0 0 0 |
| − | 27 32 1 0 0 0 0 | + | 27 32 1 0 0 0 0 |
| − | 26 40 1 0 0 0 0 | + | 26 40 1 0 0 0 0 |
| − | 15 41 1 0 0 0 0 | + | 15 41 1 0 0 0 0 |
| − | 16 42 1 0 0 0 0 | + | 16 42 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 1 43 1 0 0 0 0 | + | 1 43 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 43 44 | + | M SAL 1 2 43 44 |
| − | M SBL 1 1 48 | + | M SBL 1 1 48 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 48 0.6348 -0.3665 | + | M SBV 1 48 0.6348 -0.3665 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FCCGA0004 | + | ID FL5FCCGA0004 |
| − | FORMULA C28H32O16 | + | FORMULA C28H32O16 |
| − | EXACTMASS 624.1690349759999 | + | EXACTMASS 624.1690349759999 |
| − | AVERAGEMASS 624.54408 | + | AVERAGEMASS 624.54408 |
| − | SMILES c(c(OC)1)c(c(C2=O)c(OC(c(c5)cc(c(c5)O)O)=C2OC(O3)C(O)C(O)C(C3COC(O4)C(C(C(O)C(C)4)O)O)O)c1)O | + | SMILES c(c(OC)1)c(c(C2=O)c(OC(c(c5)cc(c(c5)O)O)=C2OC(O3)C(O)C(O)C(C3COC(O4)C(C(C(O)C(C)4)O)O)O)c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-3.2623 1.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2623 0.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5613 -0.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8603 0.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8603 1.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5613 1.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1593 -0.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4583 0.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4583 1.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1593 1.4572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1593 -0.7927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2425 1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9570 1.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6714 1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6714 2.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9570 2.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2425 2.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5613 -0.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5933 -1.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1049 -2.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0443 -2.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9893 -2.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5271 -1.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5384 -2.1174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6711 -1.9211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6292 0.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1408 -0.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0801 -0.2759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0252 -0.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5137 0.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5743 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3839 -0.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9007 0.4956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4491 1.0621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7649 -0.3712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2808 -0.9802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3215 -2.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4523 -3.1229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9893 -3.5193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9356 0.2909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3858 2.6945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9570 3.5193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8971 1.4190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5271 2.5104 0.0000 C 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
3 18 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 1 0 0 0
28 29 1 1 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 26 1 0 0 0 0
31 33 1 0 0 0 0
30 34 1 0 0 0 0
29 35 1 0 0 0 0
23 36 1 0 0 0 0
35 36 1 0 0 0 0
20 37 1 0 0 0 0
21 38 1 0 0 0 0
22 39 1 0 0 0 0
32 8 1 0 0 0 0
27 32 1 0 0 0 0
26 40 1 0 0 0 0
15 41 1 0 0 0 0
16 42 1 0 0 0 0
43 44 1 0 0 0 0
1 43 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 43 44
M SBL 1 1 48
M SMT 1 ^ OCH3
M SBV 1 48 0.6348 -0.3665
S SKP 5
ID FL5FCCGA0004
FORMULA C28H32O16
EXACTMASS 624.1690349759999
AVERAGEMASS 624.54408
SMILES c(c(OC)1)c(c(C2=O)c(OC(c(c5)cc(c(c5)O)O)=C2OC(O3)C(O)C(O)C(C3COC(O4)C(C(C(O)C(C)4)O)O)O)c1)O
M END
