Mol:FL3FFAGS0010
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.0217 0.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0217 0.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0217 -0.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0217 -0.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4293 -0.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4293 -0.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8804 -0.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8804 -0.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8804 0.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8804 0.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4293 0.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4293 0.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3315 -0.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3315 -0.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7825 -0.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7825 -0.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7825 0.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7825 0.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3315 0.4415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3315 0.4415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3315 -1.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3315 -1.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2334 0.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2334 0.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6931 0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6931 0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1529 0.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1529 0.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1529 0.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1529 0.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6931 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6931 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2334 0.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2334 0.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5412 0.4810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5412 0.4810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4293 -1.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4293 -1.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7472 1.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7472 1.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1707 -0.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1707 -0.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6551 -0.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6551 -0.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9126 -0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9126 -0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1961 -0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1961 -0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7167 -0.0727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7167 -0.0727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4752 -0.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4752 -0.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7472 -0.5421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7472 -0.5421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4589 -0.9291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4589 -0.9291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4871 -1.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4871 -1.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4293 0.9612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4293 0.9612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7707 0.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7707 0.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0563 0.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0563 0.0499 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 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 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 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 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 6 30 1 0 0 0 0 | + | 6 30 1 0 0 0 0 |
| − | 26 31 1 0 0 0 0 | + | 26 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 34 -6.2902 5.7011 | + | M SBV 1 34 -6.2902 5.7011 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FFAGS0010 | + | ID FL3FFAGS0010 |
| − | KNApSAcK_ID C00004287 | + | KNApSAcK_ID C00004287 |
| − | NAME Isoscutellarein 7-glucoside | + | NAME Isoscutellarein 7-glucoside |
| − | CAS_RN 63317-86-2 | + | CAS_RN 63317-86-2 |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES C(C1Oc(c(O)2)cc(O)c(C(=O)4)c2OC(=C4)c(c3)ccc(O)c3)(O)C(O)C(O)C(O1)CO | + | SMILES C(C1Oc(c(O)2)cc(O)c(C(=O)4)c2OC(=C4)c(c3)ccc(O)c3)(O)C(O)C(O)C(O1)CO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-0.0217 0.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0217 -0.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4293 -0.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8804 -0.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8804 0.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4293 0.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3315 -0.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7825 -0.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7825 0.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3315 0.4415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3315 -1.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2334 0.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6931 0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1529 0.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1529 0.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6931 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2334 0.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5412 0.4810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4293 -1.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7472 1.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1707 -0.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6551 -0.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9126 -0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1961 -0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7167 -0.0727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4752 -0.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7472 -0.5421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4589 -0.9291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4871 -1.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4293 0.9612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7707 0.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0563 0.0499 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 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
18 1 1 0 0 0 0
3 19 1 0 0 0 0
15 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
24 18 1 0 0 0 0
6 30 1 0 0 0 0
26 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 ^CH2OH
M SBV 1 34 -6.2902 5.7011
S SKP 8
ID FL3FFAGS0010
KNApSAcK_ID C00004287
NAME Isoscutellarein 7-glucoside
CAS_RN 63317-86-2
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES C(C1Oc(c(O)2)cc(O)c(C(=O)4)c2OC(=C4)c(c3)ccc(O)c3)(O)C(O)C(O)C(O1)CO
M END
