Mol:FL1CAAGS0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 41 44 0 0 0 0 0 0 0 0999 V2000 | + | 41 44 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0836 1.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0836 1.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0836 0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0836 0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3484 -0.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3484 -0.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3869 0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3869 0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3869 1.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3869 1.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3484 1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3484 1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1219 -0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1219 -0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8552 0.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8552 0.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5869 -0.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5869 -0.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3172 0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3172 0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0317 -0.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0317 -0.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7463 0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7463 0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7463 1.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7463 1.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0317 1.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0317 1.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3172 1.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3172 1.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1219 -0.8717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1219 -0.8717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3484 -0.8737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3484 -0.8737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8185 1.6727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8185 1.6727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1219 1.6727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1219 1.6727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4607 1.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4607 1.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8507 -0.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8507 -0.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3912 -1.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3912 -1.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7295 -1.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7295 -1.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0397 -1.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0397 -1.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5550 -0.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5550 -0.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2309 -1.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2309 -1.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5192 -1.2509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5192 -1.2509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9233 -1.5678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9233 -1.5678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1016 -1.6730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1016 -1.6730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8593 -0.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8593 -0.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1622 -1.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1622 -1.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3833 -0.6283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3833 -0.6283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1622 0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1622 0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8593 0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8593 0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6382 -0.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6382 -0.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4145 0.9975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4145 0.9975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1622 0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1622 0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1428 0.1185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1428 0.1185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4607 -1.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4607 -1.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6499 -0.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6499 -0.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7075 -0.3799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7075 -0.3799 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 |
| − | 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 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 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 31 30 1 1 0 0 0 | + | 31 30 1 1 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 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 35 30 1 1 0 0 0 | + | 35 30 1 1 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
| − | 35 38 1 0 0 0 0 | + | 35 38 1 0 0 0 0 |
| − | 30 39 1 0 0 0 0 | + | 30 39 1 0 0 0 0 |
| − | 31 27 1 0 0 0 0 | + | 31 27 1 0 0 0 0 |
| − | 24 17 1 0 0 0 0 | + | 24 17 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 26 40 1 0 0 0 0 | + | 26 40 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 40 41 | + | M SAL 1 2 40 41 |
| − | M SBL 1 1 44 | + | M SBL 1 1 44 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 44 0.4190 -0.4190 | + | M SBV 1 44 0.4190 -0.4190 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL1CAAGS0007 | + | ID FL1CAAGS0007 |
| − | FORMULA C27H32O14 | + | FORMULA C27H32O14 |
| − | EXACTMASS 580.179205732 | + | EXACTMASS 580.179205732 |
| − | AVERAGEMASS 580.53458 | + | AVERAGEMASS 580.53458 |
| − | SMILES Oc(c1)cc(c(C(C=Cc(c4)ccc(O)c4)=O)c1OC(C(O)2)OC(CO)C(OC(O3)C(O)C(O)C(O)C(C)3)C2O)O | + | SMILES Oc(c1)cc(c(C(C=Cc(c4)ccc(O)c4)=O)c1OC(C(O)2)OC(CO)C(OC(O3)C(O)C(O)C(O)C(C)3)C2O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
41 44 0 0 0 0 0 0 0 0999 V2000
-1.0836 1.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0836 0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3484 -0.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3869 0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3869 1.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3484 1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1219 -0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8552 0.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5869 -0.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3172 0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0317 -0.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7463 0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7463 1.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0317 1.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3172 1.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1219 -0.8717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3484 -0.8737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8185 1.6727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1219 1.6727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4607 1.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8507 -0.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3912 -1.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7295 -1.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0397 -1.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5550 -0.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2309 -1.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5192 -1.2509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9233 -1.5678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1016 -1.6730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8593 -0.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1622 -1.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3833 -0.6283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1622 0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8593 0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6382 -0.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4145 0.9975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1622 0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1428 0.1185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4607 -1.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6499 -0.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7075 -0.3799 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
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 11 2 0 0 0 0
11 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 10 1 0 0 0 0
7 16 2 0 0 0 0
3 17 1 0 0 0 0
1 18 1 0 0 0 0
5 19 1 0 0 0 0
13 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
31 30 1 1 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
35 30 1 1 0 0 0
34 36 1 0 0 0 0
33 37 1 0 0 0 0
35 38 1 0 0 0 0
30 39 1 0 0 0 0
31 27 1 0 0 0 0
24 17 1 0 0 0 0
40 41 1 0 0 0 0
26 40 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 40 41
M SBL 1 1 44
M SMT 1 ^CH2OH
M SBV 1 44 0.4190 -0.4190
S SKP 5
ID FL1CAAGS0007
FORMULA C27H32O14
EXACTMASS 580.179205732
AVERAGEMASS 580.53458
SMILES Oc(c1)cc(c(C(C=Cc(c4)ccc(O)c4)=O)c1OC(C(O)2)OC(CO)C(OC(O3)C(O)C(O)C(O)C(C)3)C2O)O
M END
