Mol:FLIDHXNF0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 31 0 0 0 0 0 0 0 0999 V2000 | + | 27 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2700 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2700 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2700 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2700 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7137 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7137 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1574 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1574 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1574 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1574 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7137 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7137 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3989 0.0104 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.3989 0.0104 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.9552 0.3315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.9552 0.3315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.9552 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9552 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3989 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3989 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5113 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5113 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5113 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5113 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1061 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1061 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7009 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7009 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7009 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7009 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1061 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1061 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4047 -0.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4047 -0.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4620 0.6242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4620 0.6242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8809 1.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8809 1.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2585 0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2585 0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8809 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8809 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9006 0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9006 0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2217 0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2217 0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2217 1.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2217 1.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6523 0.6527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6523 0.6527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5669 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5669 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4330 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4330 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 2 1 0 0 0 0 | + | 21 2 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 14 26 1 0 0 0 0 | + | 14 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 30 | + | M SBL 1 1 30 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 30 2.9378 -0.8826 | + | M SVB 1 30 2.9378 -0.8826 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDHXNF0006 | + | ID FLIDHXNF0006 |
| − | KNApSAcK_ID C00009692 | + | KNApSAcK_ID C00009692 |
| − | NAME 9-O-Methylglyceofuran | + | NAME 9-O-Methylglyceofuran |
| − | CAS_RN 78876-29-6 | + | CAS_RN 78876-29-6 |
| − | FORMULA C21H20O6 | + | FORMULA C21H20O6 |
| − | EXACTMASS 368.125988372 | + | EXACTMASS 368.125988372 |
| − | AVERAGEMASS 368.37989999999996 | + | AVERAGEMASS 368.37989999999996 |
| − | SMILES c(c(OC)1)cc(C5(O)2)c(OC2c(c4)c(OC5)cc(c43)oc(c3)C(C)(C)O)c1 | + | SMILES c(c(OC)1)cc(C5(O)2)c(OC2c(c4)c(OC5)cc(c43)oc(c3)C(C)(C)O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 31 0 0 0 0 0 0 0 0999 V2000
-1.2700 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2700 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7137 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1574 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1574 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7137 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3989 0.0104 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.9552 0.3315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.9552 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3989 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5113 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5113 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1061 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7009 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7009 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1061 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4047 -0.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4620 0.6242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8809 1.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2585 0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8809 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9006 0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2217 0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2217 1.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6523 0.6527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5669 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4330 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 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 11 2 0 0 0 0
7 17 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
8 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 2 1 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
14 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 30
M SMT 1 OCH3
M SVB 1 30 2.9378 -0.8826
S SKP 8
ID FLIDHXNF0006
KNApSAcK_ID C00009692
NAME 9-O-Methylglyceofuran
CAS_RN 78876-29-6
FORMULA C21H20O6
EXACTMASS 368.125988372
AVERAGEMASS 368.37989999999996
SMILES c(c(OC)1)cc(C5(O)2)c(OC2c(c4)c(OC5)cc(c43)oc(c3)C(C)(C)O)c1
M END
