Mol:FL4DFCNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9244 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9244 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4035 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4035 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8827 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8827 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8827 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8827 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4035 0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4035 0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9244 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9244 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3618 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3618 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1591 -0.7709 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.1591 -0.7709 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.1591 -0.1695 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.1591 -0.1695 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.3618 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3618 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6795 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6795 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3618 -1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3618 -1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2138 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2138 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7482 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7482 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7482 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7482 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2138 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2138 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6795 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6795 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2138 1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2138 1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2817 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2817 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4035 -1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4035 -1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5536 -0.9987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5536 -0.9987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1434 0.6940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1434 0.6940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7238 1.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7238 1.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2817 0.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2817 0.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7817 1.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7817 1.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 5 22 1 0 0 0 0 | + | 5 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 24 25 | + | M SAL 2 2 24 25 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 26 -2.2817 0.4493 | + | M SVB 2 26 -2.2817 0.4493 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 -1.1434 0.694 | + | M SVB 1 24 -1.1434 0.694 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DFCNS0001 | + | ID FL4DFCNS0001 |
| − | KNApSAcK_ID C00008588 | + | KNApSAcK_ID C00008588 |
| − | NAME Dihydrogossypetin 7,8-dimethyl ether | + | NAME Dihydrogossypetin 7,8-dimethyl ether |
| − | CAS_RN 151193-57-6 | + | CAS_RN 151193-57-6 |
| − | FORMULA C17H16O8 | + | FORMULA C17H16O8 |
| − | EXACTMASS 348.08451748799996 | + | EXACTMASS 348.08451748799996 |
| − | AVERAGEMASS 348.30413999999996 | + | AVERAGEMASS 348.30413999999996 |
| − | SMILES COc(c3)c(OC)c(O1)c(c(O)3)C(=O)C(O)C1c(c2)cc(O)c(O)c2 | + | SMILES COc(c3)c(OC)c(O1)c(c(O)3)C(=O)C(O)C1c(c2)cc(O)c(O)c2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.9244 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4035 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8827 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8827 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4035 0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9244 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3618 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1591 -0.7709 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.1591 -0.1695 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.3618 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6795 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3618 -1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2138 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7482 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7482 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2138 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6795 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2138 1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2817 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4035 -1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5536 -0.9987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1434 0.6940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7238 1.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2817 0.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7817 1.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
16 18 1 0 0 0 0
15 19 1 0 0 0 0
2 20 1 0 0 0 0
8 21 1 0 0 0 0
5 22 1 0 0 0 0
22 23 1 0 0 0 0
6 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 -2.2817 0.4493
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 -1.1434 0.694
S SKP 8
ID FL4DFCNS0001
KNApSAcK_ID C00008588
NAME Dihydrogossypetin 7,8-dimethyl ether
CAS_RN 151193-57-6
FORMULA C17H16O8
EXACTMASS 348.08451748799996
AVERAGEMASS 348.30413999999996
SMILES COc(c3)c(OC)c(O1)c(c(O)3)C(=O)C(O)C1c(c2)cc(O)c(O)c2
M END
