Mol:FL3FBCGS0001
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 |
| − | 0.1018 -0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1018 -0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1018 -0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1018 -0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5528 -0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5528 -0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0039 -0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0039 -0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0039 -0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0039 -0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5528 0.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5528 0.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4550 -0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4550 -0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9060 -0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9060 -0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9060 -0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9060 -0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4550 0.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4550 0.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6267 -1.2810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6267 -1.2810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3569 0.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3569 0.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8166 -0.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8166 -0.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2764 0.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2764 0.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2764 0.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2764 0.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8166 0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8166 0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3569 0.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3569 0.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8166 1.4555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8166 1.4555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8666 1.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8666 1.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5637 0.1881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5637 0.1881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1528 -0.0392 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.1528 -0.0392 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.6372 -0.7198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.6372 -0.7198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.8947 -0.4311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.8947 -0.4311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.1782 -0.4233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.1782 -0.4233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.6988 0.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6988 0.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3484 -0.2454 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.3484 -0.2454 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.8666 -0.4513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8666 -0.4513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4410 -0.7589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4410 -0.7589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4692 -1.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4692 -1.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5506 0.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5506 0.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5056 0.9456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5056 0.9456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0634 -1.0430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0634 -1.0430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7779 -1.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7779 -1.4555 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 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 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 20 1 0 0 0 0 | + | 24 20 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 3 32 1 0 0 0 0 | + | 3 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 30 31 | + | M SAL 2 2 30 31 |
| − | M SBL 2 1 33 | + | M SBL 2 1 33 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 33 -2.5506 0.6489 | + | M SVB 2 33 -2.5506 0.6489 |
| − | 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 SVB 1 35 0.0634 -1.043 | + | M SVB 1 35 0.0634 -1.043 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FBCGS0001 | + | ID FL3FBCGS0001 |
| − | KNApSAcK_ID C00004332 | + | KNApSAcK_ID C00004332 |
| − | NAME Luteolin 5-methyl ether 7-glucoside | + | NAME Luteolin 5-methyl ether 7-glucoside |
| − | CAS_RN 58115-30-3 | + | CAS_RN 58115-30-3 |
| − | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
| − | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
| − | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
| − | SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c(c42)C(C=C(c(c3)ccc(c3O)O)O2)=O)OC)CO)O)O | + | SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c(c42)C(C=C(c(c3)ccc(c3O)O)O2)=O)OC)CO)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/
33 36 0 0 0 0 0 0 0 0999 V2000
0.1018 -0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1018 -0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5528 -0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0039 -0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0039 -0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5528 0.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4550 -0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9060 -0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9060 -0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4550 0.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6267 -1.2810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3569 0.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8166 -0.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2764 0.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2764 0.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8166 0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3569 0.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8166 1.4555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8666 1.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5637 0.1881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1528 -0.0392 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6372 -0.7198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8947 -0.4311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1782 -0.4233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6988 0.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3484 -0.2454 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.8666 -0.4513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4410 -0.7589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4692 -1.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5506 0.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5056 0.9456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0634 -1.0430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7779 -1.4555 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
16 18 1 0 0 0 0
19 15 1 0 0 0 0
20 1 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 20 1 0 0 0 0
26 30 1 0 0 0 0
30 31 1 0 0 0 0
3 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 30 31
M SBL 2 1 33
M SMT 2 CH2OH
M SVB 2 33 -2.5506 0.6489
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 SVB 1 35 0.0634 -1.043
S SKP 8
ID FL3FBCGS0001
KNApSAcK_ID C00004332
NAME Luteolin 5-methyl ether 7-glucoside
CAS_RN 58115-30-3
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c(c42)C(C=C(c(c3)ccc(c3O)O)O2)=O)OC)CO)O)O
M END
