Mol:FL3FABGS0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.4147 0.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4147 0.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4147 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4147 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0363 -0.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0363 -0.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4874 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4874 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4874 0.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4874 0.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0363 0.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0363 0.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9385 -0.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9385 -0.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3895 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3895 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3895 0.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3895 0.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9385 0.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9385 0.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9385 -0.8736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9385 -0.8736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8404 0.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8404 0.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3002 0.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3002 0.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7599 0.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7599 0.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7599 1.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7599 1.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3002 1.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3002 1.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8404 1.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8404 1.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8656 0.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8656 0.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0363 -0.8738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0363 -0.8738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3574 0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3574 0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8418 -0.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8418 -0.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0993 0.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0993 0.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3829 0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3829 0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9035 0.6259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9035 0.6259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6619 0.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6619 0.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9339 0.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9339 0.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6456 -0.2304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6456 -0.2304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6719 -0.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6719 -0.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6922 -1.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6922 -1.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0689 -1.3704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0689 -1.3704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1318 -1.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1318 -1.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2195 1.3703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2195 1.3703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9339 0.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9339 0.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9575 1.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9575 1.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2430 0.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2430 0.7485 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 19 3 1 0 0 0 0 | + | 19 3 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 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 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 |
| − | 29 28 1 0 0 0 0 | + | 29 28 1 0 0 0 0 |
| − | 23 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 15 32 1 0 0 0 0 | + | 15 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 25 34 1 0 0 0 0 | + | 25 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 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 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 35 -6.5262 4.9914 | + | M SBV 1 35 -6.5262 4.9914 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 34 35 | + | M SAL 2 2 34 35 |
| − | M SBL 2 1 37 | + | M SBL 2 1 37 |
| − | M SMT 2 ^CH2OH | + | M SMT 2 ^CH2OH |
| − | M SBV 2 37 -7.2813 5.5335 | + | M SBV 2 37 -7.2813 5.5335 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FABGS0008 | + | ID FL3FABGS0008 |
| − | KNApSAcK_ID C00004208 | + | KNApSAcK_ID C00004208 |
| − | NAME Acacetin 7-(2''-acetylglucoside) | + | NAME Acacetin 7-(2''-acetylglucoside) |
| − | CAS_RN 78886-64-3 | + | CAS_RN 78886-64-3 |
| − | FORMULA C24H24O11 | + | FORMULA C24H24O11 |
| − | EXACTMASS 488.13186161 | + | EXACTMASS 488.13186161 |
| − | AVERAGEMASS 488.44076 | + | AVERAGEMASS 488.44076 |
| − | SMILES OCC(O1)C(O)C(C(C1Oc(c2)cc(c(C(=O)4)c2OC(=C4)c(c3)ccc(c3)OC)O)OC(C)=O)O | + | SMILES OCC(O1)C(O)C(C(C1Oc(c2)cc(c(C(=O)4)c2OC(=C4)c(c3)ccc(c3)OC)O)OC(C)=O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-0.4147 0.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4147 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0363 -0.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4874 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4874 0.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0363 0.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9385 -0.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3895 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3895 0.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9385 0.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9385 -0.8736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8404 0.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3002 0.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7599 0.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7599 1.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3002 1.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8404 1.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8656 0.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0363 -0.8738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3574 0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8418 -0.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0993 0.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3829 0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9035 0.6259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6619 0.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9339 0.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6456 -0.2304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6719 -0.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6922 -1.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0689 -1.3704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1318 -1.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2195 1.3703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9339 0.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9575 1.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2430 0.7485 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
1 18 1 0 0 0 0
19 3 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 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
29 28 1 0 0 0 0
23 18 1 0 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
15 32 1 0 0 0 0
32 33 1 0 0 0 0
25 34 1 0 0 0 0
34 35 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 35
M SMT 1 OCH3
M SBV 1 35 -6.5262 4.9914
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 34 35
M SBL 2 1 37
M SMT 2 ^CH2OH
M SBV 2 37 -7.2813 5.5335
S SKP 8
ID FL3FABGS0008
KNApSAcK_ID C00004208
NAME Acacetin 7-(2''-acetylglucoside)
CAS_RN 78886-64-3
FORMULA C24H24O11
EXACTMASS 488.13186161
AVERAGEMASS 488.44076
SMILES OCC(O1)C(O)C(C(C1Oc(c2)cc(c(C(=O)4)c2OC(=C4)c(c3)ccc(c3)OC)O)OC(C)=O)O
M END
