Mol:FL5FECGL0008
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 |
| − | -0.1724 -5.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1724 -5.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4602 -5.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4602 -5.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6799 -4.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6799 -4.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2670 -4.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2670 -4.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3656 -4.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3656 -4.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5853 -4.7271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5853 -4.7271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4867 -3.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4867 -3.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0738 -2.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0738 -2.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5588 -3.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5588 -3.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7785 -3.6314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7785 -3.6314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9798 -3.3213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9798 -3.3213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9716 -2.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9716 -2.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7477 -1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7477 -1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1685 -1.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1685 -1.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8132 -1.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8132 -1.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0371 -2.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0371 -2.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6163 -2.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6163 -2.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5032 -2.1825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5032 -2.1825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9538 -0.8320 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.9538 -0.8320 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.5662 -1.5034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.5662 -1.5034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.3116 -1.2904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3116 -1.2904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0616 -1.5034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.0616 -1.5034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.4493 -0.8320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.4493 -0.8320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.7038 -1.0450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.7038 -1.0450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.2267 -1.0268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2267 -1.0268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9726 -0.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9726 -0.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2507 -1.0467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2507 -1.0467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2339 -1.0316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2339 -1.0316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3121 -4.3925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3121 -4.3925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6816 -2.2618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6816 -2.2618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8730 -5.5996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8730 -5.5996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8066 -1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8066 -1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5210 -1.8268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5210 -1.8268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7197 -5.6785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7197 -5.6785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4857 -6.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4857 -6.3214 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 |
| − | 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 |
| − | 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 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 20 18 1 0 0 0 0 | + | 20 18 1 0 0 0 0 |
| − | 18 8 1 0 0 0 0 | + | 18 8 1 0 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 15 28 1 0 0 0 0 | + | 15 28 1 0 0 0 0 |
| − | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
| − | 16 30 1 0 0 0 0 | + | 16 30 1 0 0 0 0 |
| − | 2 31 1 0 0 0 0 | + | 2 31 1 0 0 0 0 |
| − | 22 32 1 0 0 0 0 | + | 22 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 1 34 1 0 0 0 0 | + | 1 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 35 | + | M SBL 2 1 35 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 35 2.8066 -1.4143 | + | M SVB 2 35 2.8066 -1.4143 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 34 35 | + | M SAL 1 2 34 35 |
| − | M SBL 1 1 37 | + | M SBL 1 1 37 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 37 -3.3222 0.488 | + | M SVB 1 37 -3.3222 0.488 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FECGL0008 | + | ID FL5FECGL0008 |
| − | KNApSAcK_ID C00005651 | + | KNApSAcK_ID C00005651 |
| − | NAME Quercetagetin 7-methyl ether 3-glucoside | + | NAME Quercetagetin 7-methyl ether 3-glucoside |
| − | CAS_RN 65180-49-6 | + | CAS_RN 65180-49-6 |
| − | FORMULA C22H22O13 | + | FORMULA C22H22O13 |
| − | EXACTMASS 494.10604078999995 | + | EXACTMASS 494.10604078999995 |
| − | AVERAGEMASS 494.40228 | + | AVERAGEMASS 494.40228 |
| − | SMILES C(O[C@H](O4)C(O)C([C@H]([C@@H](CO)4)O)O)(=C(c(c3)cc(c(O)c3)O)2)C(=O)c(c(O)1)c(O2)cc(OC)c(O)1 | + | SMILES C(O[C@H](O4)C(O)C([C@H]([C@@H](CO)4)O)O)(=C(c(c3)cc(c(O)c3)O)2)C(=O)c(c(O)1)c(O2)cc(OC)c(O)1 |
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
-0.1724 -5.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4602 -5.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6799 -4.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2670 -4.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3656 -4.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5853 -4.7271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4867 -3.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0738 -2.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5588 -3.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7785 -3.6314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9798 -3.3213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9716 -2.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7477 -1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1685 -1.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8132 -1.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0371 -2.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6163 -2.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5032 -2.1825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9538 -0.8320 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5662 -1.5034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.3116 -1.2904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0616 -1.5034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4493 -0.8320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7038 -1.0450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.2267 -1.0268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9726 -0.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2507 -1.0467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2339 -1.0316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3121 -4.3925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6816 -2.2618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8730 -5.5996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8066 -1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5210 -1.8268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7197 -5.6785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4857 -6.3214 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
19 20 1 0 0 0 0
20 21 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
24 26 1 0 0 0 0
23 27 1 0 0 0 0
20 18 1 0 0 0 0
18 8 1 0 0 0 0
22 21 1 1 0 0 0
15 28 1 0 0 0 0
3 29 1 0 0 0 0
16 30 1 0 0 0 0
2 31 1 0 0 0 0
22 32 1 0 0 0 0
32 33 1 0 0 0 0
1 34 1 0 0 0 0
34 35 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 35
M SMT 2 CH2OH
M SVB 2 35 2.8066 -1.4143
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 34 35
M SBL 1 1 37
M SMT 1 OCH3
M SVB 1 37 -3.3222 0.488
S SKP 8
ID FL5FECGL0008
KNApSAcK_ID C00005651
NAME Quercetagetin 7-methyl ether 3-glucoside
CAS_RN 65180-49-6
FORMULA C22H22O13
EXACTMASS 494.10604078999995
AVERAGEMASS 494.40228
SMILES C(O[C@H](O4)C(O)C([C@H]([C@@H](CO)4)O)O)(=C(c(c3)cc(c(O)c3)O)2)C(=O)c(c(O)1)c(O2)cc(OC)c(O)1
M END
