Mol:FL3FADGS0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0504 -3.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0504 -3.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6515 -3.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6515 -3.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1620 -3.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1620 -3.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0716 -3.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0716 -3.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4706 -2.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4706 -2.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9600 -2.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9600 -2.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4178 -2.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4178 -2.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5082 -2.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5082 -2.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1093 -2.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1093 -2.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3802 -2.2106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3802 -2.2106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8100 -2.9852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8100 -2.9852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1996 -1.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1996 -1.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6986 -1.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6986 -1.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7907 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7907 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3841 -0.4742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3841 -0.4742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1147 -0.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1147 -0.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2070 -1.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2070 -1.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2361 -3.9053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2361 -3.9053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0268 0.2919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0268 0.2919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5389 -3.5924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5389 -3.5924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4937 1.3006 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.4937 1.3006 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.1060 0.6292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.1060 0.6292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.8515 0.8423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8515 0.8423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6015 0.6292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.6015 0.6292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.9892 1.3006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.9892 1.3006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.2437 1.0876 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.2437 1.0876 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.7737 1.1077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7737 1.1077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5506 1.6193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5506 1.6193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5486 0.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5486 0.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3847 -0.1294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3847 -0.1294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8409 0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8409 0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1137 0.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1137 0.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8281 0.2434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8281 0.2434 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 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 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 22 19 1 0 0 0 0 | + | 22 19 1 0 0 0 0 |
| − | 16 30 1 0 0 0 0 | + | 16 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 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 3.1137 0.6559 | + | M SVB 2 35 3.1137 0.6559 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 33 -0.4333 1.2835 | + | M SVB 1 33 -0.4333 1.2835 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FADGS0006 | + | ID FL3FADGS0006 |
| − | KNApSAcK_ID C00004340 | + | KNApSAcK_ID C00004340 |
| − | NAME Luteolin 3'-methyl ether 4'-glucoside | + | NAME Luteolin 3'-methyl ether 4'-glucoside |
| − | CAS_RN 36451-44-2 | + | CAS_RN 36451-44-2 |
| − | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
| − | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
| − | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
| − | SMILES OC(C4O)[C@@H](O[C@H](CO)[C@@H]4O)Oc(c3)c(cc(c3)C(O2)=CC(c(c21)c(O)cc(O)c1)=O)OC | + | SMILES OC(C4O)[C@@H](O[C@H](CO)[C@@H]4O)Oc(c3)c(cc(c3)C(O2)=CC(c(c21)c(O)cc(O)c1)=O)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/
33 36 0 0 0 0 0 0 0 0999 V2000
-1.0504 -3.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6515 -3.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1620 -3.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0716 -3.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4706 -2.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9600 -2.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4178 -2.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5082 -2.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1093 -2.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3802 -2.2106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8100 -2.9852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1996 -1.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6986 -1.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7907 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3841 -0.4742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1147 -0.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2070 -1.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2361 -3.9053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0268 0.2919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5389 -3.5924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4937 1.3006 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.1060 0.6292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.8515 0.8423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6015 0.6292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9892 1.3006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.2437 1.0876 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.7737 1.1077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5506 1.6193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5486 0.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3847 -0.1294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8409 0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1137 0.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8281 0.2434 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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
1 20 1 0 0 0 0
21 22 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 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 19 1 0 0 0 0
16 30 1 0 0 0 0
30 31 1 0 0 0 0
24 32 1 0 0 0 0
32 33 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 3.1137 0.6559
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 OCH3
M SVB 1 33 -0.4333 1.2835
S SKP 8
ID FL3FADGS0006
KNApSAcK_ID C00004340
NAME Luteolin 3'-methyl ether 4'-glucoside
CAS_RN 36451-44-2
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES OC(C4O)[C@@H](O[C@H](CO)[C@@H]4O)Oc(c3)c(cc(c3)C(O2)=CC(c(c21)c(O)cc(O)c1)=O)OC
M END
