Mol:FL3FFCGS0003
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 |
| − | -0.5808 -0.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5808 -0.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5808 -1.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5808 -1.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1297 -1.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1297 -1.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3214 -1.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3214 -1.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3214 -0.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3214 -0.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1297 -0.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1297 -0.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7724 -1.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7724 -1.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2235 -1.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2235 -1.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2235 -0.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2235 -0.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7724 -0.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7724 -0.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7724 -1.7863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7724 -1.7863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6744 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6744 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1341 -0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1341 -0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5938 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5938 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5938 0.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5938 0.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1341 0.4577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1341 0.4577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6744 0.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6744 0.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1341 1.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1341 1.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1297 -1.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1297 -1.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0336 -0.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0336 -0.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2151 0.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2151 0.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1297 0.6490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1297 0.6490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3909 1.8788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3909 1.8788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2847 1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2847 1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4973 0.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4973 0.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8729 0.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8729 0.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0634 1.2701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0634 1.2701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7974 1.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7974 1.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2151 1.8788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2151 1.8788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0003 1.3995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0003 1.3995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4859 0.0791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4859 0.0791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4693 1.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4693 1.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7548 1.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7548 1.4874 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 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 26 22 1 0 0 0 0 | + | 26 22 1 0 0 0 0 |
| − | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 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 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 35 -7.5455 3.4576 | + | M SBV 1 35 -7.5455 3.4576 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FFCGS0003 | + | ID FL3FFCGS0003 |
| − | KNApSAcK_ID C00004419 | + | KNApSAcK_ID C00004419 |
| − | NAME 8-Hydroxyluteolin 8-glucoside;Hypolaetin 8-O-beta-D-glucoside | + | NAME 8-Hydroxyluteolin 8-glucoside;Hypolaetin 8-O-beta-D-glucoside |
| − | CAS_RN 27686-36-8 | + | CAS_RN 27686-36-8 |
| − | FORMULA C21H20O12 | + | FORMULA C21H20O12 |
| − | EXACTMASS 464.095476104 | + | EXACTMASS 464.095476104 |
| − | AVERAGEMASS 464.37629999999996 | + | AVERAGEMASS 464.37629999999996 |
| − | SMILES c(c1)(O)c(C(=O)4)c(OC(=C4)c(c3)cc(c(O)c3)O)c(OC(C(O)2)OC(CO)C(O)C2O)c1O | + | SMILES c(c1)(O)c(C(=O)4)c(OC(=C4)c(c3)cc(c(O)c3)O)c(OC(C(O)2)OC(CO)C(O)C2O)c1O |
M END | M END | ||
| − | |||
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
-0.5808 -0.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5808 -1.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1297 -1.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3214 -1.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3214 -0.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1297 -0.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7724 -1.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2235 -1.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2235 -0.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7724 -0.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7724 -1.7863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6744 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1341 -0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5938 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5938 0.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1341 0.4577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6744 0.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1341 1.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1297 -1.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0336 -0.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 0.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1297 0.6490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3909 1.8788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2847 1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4973 0.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8729 0.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0634 1.2701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7974 1.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 1.8788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0003 1.3995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4859 0.0791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4693 1.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7548 1.4874 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
16 18 1 0 0 0 0
3 19 1 0 0 0 0
1 20 1 0 0 0 0
21 15 1 0 0 0 0
6 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 22 1 0 0 0 0
28 32 1 0 0 0 0
32 33 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 CH2OH
M SBV 1 35 -7.5455 3.4576
S SKP 8
ID FL3FFCGS0003
KNApSAcK_ID C00004419
NAME 8-Hydroxyluteolin 8-glucoside;Hypolaetin 8-O-beta-D-glucoside
CAS_RN 27686-36-8
FORMULA C21H20O12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES c(c1)(O)c(C(=O)4)c(OC(=C4)c(c3)cc(c(O)c3)O)c(OC(C(O)2)OC(CO)C(O)C2O)c1O
M END
