Mol:FL5FCDNSS001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 30 0 0 0 0 0 0 0 0999 V2000 | + | 28 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0273 -0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0273 -0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0273 -0.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0273 -0.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4710 -1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4710 -1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9147 -0.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9147 -0.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9147 -0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9147 -0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4710 0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4710 0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3584 -1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3584 -1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1979 -0.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1979 -0.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1979 -0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1979 -0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3584 0.1316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3584 0.1316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3584 -1.6539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3584 -1.6539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7540 0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7540 0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3209 -0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3209 -0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8879 0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8879 0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8879 0.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8879 0.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3209 1.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3209 1.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7540 0.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7540 0.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4705 -1.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4705 -1.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5444 -1.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5444 -1.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5412 -2.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5412 -2.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0209 -1.6743 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0209 -1.6743 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3016 -1.2733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3016 -1.2733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7090 -2.1196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7090 -2.1196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7539 1.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7539 1.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3658 0.4617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3658 0.4617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8270 1.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8270 1.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6139 1.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6139 1.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0638 2.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0638 2.5883 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 |
| − | 18 3 1 0 0 0 0 | + | 18 3 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 21 23 2 0 0 0 0 | + | 21 23 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 15 24 1 0 0 0 0 | + | 15 24 1 0 0 0 0 |
| − | 1 25 1 0 0 0 0 | + | 1 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 16 27 1 0 0 0 0 | + | 16 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 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 27 28 | + | M SAL 2 2 27 28 |
| − | M SBL 2 1 29 | + | M SBL 2 1 29 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 29 1.6139 1.6952 | + | M SVB 2 29 1.6139 1.6952 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 -2.3658 0.4617 | + | M SVB 1 27 -2.3658 0.4617 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FCDNSS001 | + | ID FL5FCDNSS001 |
| − | KNApSAcK_ID C00004974 | + | KNApSAcK_ID C00004974 |
| − | NAME Rhamnazin 3-O-sulfate | + | NAME Rhamnazin 3-O-sulfate |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C17H14O10S | + | FORMULA C17H14O10S |
| − | EXACTMASS 410.030767358 | + | EXACTMASS 410.030767358 |
| − | AVERAGEMASS 410.35306 | + | AVERAGEMASS 410.35306 |
| − | SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C(OS(O)(=O)=O)=C1c(c2)cc(OC)c(O)c2 | + | SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C(OS(O)(=O)=O)=C1c(c2)cc(OC)c(O)c2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-2.0273 -0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0273 -0.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4710 -1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9147 -0.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9147 -0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4710 0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3584 -1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1979 -0.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1979 -0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3584 0.1316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3584 -1.6539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7540 0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3209 -0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8879 0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8879 0.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3209 1.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7540 0.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4705 -1.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5444 -1.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5412 -2.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0209 -1.6743 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.3016 -1.2733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7090 -2.1196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7539 1.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3658 0.4617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8270 1.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6139 1.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0638 2.5883 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
18 3 1 0 0 0 0
21 22 2 0 0 0 0
21 23 2 0 0 0 0
20 21 1 0 0 0 0
19 21 1 0 0 0 0
8 19 1 0 0 0 0
15 24 1 0 0 0 0
1 25 1 0 0 0 0
25 26 1 0 0 0 0
16 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 27 28
M SBL 2 1 29
M SMT 2 OCH3
M SVB 2 29 1.6139 1.6952
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 -2.3658 0.4617
S SKP 8
ID FL5FCDNSS001
KNApSAcK_ID C00004974
NAME Rhamnazin 3-O-sulfate
CAS_RN -
FORMULA C17H14O10S
EXACTMASS 410.030767358
AVERAGEMASS 410.35306
SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C(OS(O)(=O)=O)=C1c(c2)cc(OC)c(O)c2
M END
