Mol:FL3FAEDS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.1684 0.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1684 0.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4539 0.9162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4539 0.9162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2606 0.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2606 0.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2606 -0.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2606 -0.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4539 -0.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4539 -0.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1684 -0.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1684 -0.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9750 0.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9750 0.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6895 0.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6895 0.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6895 -0.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6895 -0.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9750 -0.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9750 -0.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3352 0.8765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3352 0.8765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9750 -1.4733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9750 -1.4733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4539 -1.3059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4539 -1.3059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9501 0.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9501 0.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6646 0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6646 0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3791 0.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3791 0.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3791 1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3791 1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6646 2.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6646 2.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9501 1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9501 1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9943 2.1352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9943 2.1352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0333 0.5773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0333 0.5773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6050 -1.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6050 -1.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4178 -1.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4178 -1.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7701 -0.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7701 -0.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4536 -0.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4536 -0.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6407 -0.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6407 -0.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2883 -1.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2883 -1.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7384 -0.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7384 -0.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9716 -0.9789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9716 -0.9789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6651 -2.1925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6651 -2.1925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9482 -2.0131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9482 -2.0131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1506 -1.4506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1506 -1.4506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5115 0.0257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5115 0.0257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0988 -0.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0988 -0.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3005 -0.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3005 -0.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5070 -0.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5070 -0.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9196 0.0080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9196 0.0080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7180 -0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7180 -0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8750 0.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8750 0.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6585 0.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6585 0.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5475 -0.4300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5475 -0.4300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6585 1.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6585 1.7518 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 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 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 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | 5 13 2 0 0 0 0 | + | 5 13 2 0 0 0 0 |
| − | 1 14 1 0 0 0 0 | + | 1 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 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 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 33 40 1 0 0 0 0 | + | 33 40 1 0 0 0 0 |
| − | 34 41 1 0 0 0 0 | + | 34 41 1 0 0 0 0 |
| − | 20 42 1 0 0 0 0 | + | 20 42 1 0 0 0 0 |
| − | 25 21 1 0 0 0 0 | + | 25 21 1 0 0 0 0 |
| − | 36 9 1 0 0 0 0 | + | 36 9 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAEDS0001 | + | ID FL3FAEDS0001 |
| − | KNApSAcK_ID C00014070 | + | KNApSAcK_ID C00014070 |
| − | NAME Torosaflavone B 3'-O-beta-D-glucopyranoside | + | NAME Torosaflavone B 3'-O-beta-D-glucopyranoside |
| − | CAS_RN 141360-87-4 | + | CAS_RN 141360-87-4 |
| − | FORMULA C28H32O14 | + | FORMULA C28H32O14 |
| − | EXACTMASS 592.179205732 | + | EXACTMASS 592.179205732 |
| − | AVERAGEMASS 592.54528 | + | AVERAGEMASS 592.54528 |
| − | SMILES c(c2C(O5)=CC(c(c53)c(c(C(C4)OC(C)C(C(O)4)O)c(c3)O)O)=O)cc(c(c2)OC(O1)C(O)C(O)C(O)C(CO)1)OC | + | SMILES c(c2C(O5)=CC(c(c53)c(c(C(C4)OC(C)C(C(O)4)O)c(c3)O)O)=O)cc(c(c2)OC(O1)C(O)C(O)C(O)C(CO)1)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
1.1684 0.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4539 0.9162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2606 0.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2606 -0.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4539 -0.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1684 -0.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9750 0.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6895 0.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6895 -0.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9750 -0.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3352 0.8765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9750 -1.4733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4539 -1.3059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9501 0.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6646 0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3791 0.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3791 1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6646 2.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9501 1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9943 2.1352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0333 0.5773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6050 -1.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4178 -1.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7701 -0.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4536 -0.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6407 -0.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2883 -1.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7384 -0.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9716 -0.9789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6651 -2.1925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9482 -2.0131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1506 -1.4506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5115 0.0257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0988 -0.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3005 -0.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5070 -0.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9196 0.0080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7180 -0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8750 0.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6585 0.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5475 -0.4300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6585 1.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 1 0 0 0 0
6 1 2 0 0 0 0
3 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
8 11 1 0 0 0 0
10 12 1 0 0 0 0
5 13 2 0 0 0 0
1 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
16 21 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 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
38 39 1 0 0 0 0
33 40 1 0 0 0 0
34 41 1 0 0 0 0
20 42 1 0 0 0 0
25 21 1 0 0 0 0
36 9 1 0 0 0 0
S SKP 8
ID FL3FAEDS0001
KNApSAcK_ID C00014070
NAME Torosaflavone B 3'-O-beta-D-glucopyranoside
CAS_RN 141360-87-4
FORMULA C28H32O14
EXACTMASS 592.179205732
AVERAGEMASS 592.54528
SMILES c(c2C(O5)=CC(c(c53)c(c(C(C4)OC(C)C(C(O)4)O)c(c3)O)O)=O)cc(c(c2)OC(O1)C(O)C(O)C(O)C(CO)1)OC
M END
