Mol:FL2FADNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9505 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9505 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9505 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9505 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4500 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4500 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9496 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9496 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9496 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9496 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4500 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4500 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4491 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4491 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0513 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0513 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0513 0.1323 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.0513 0.1323 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.4491 0.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4491 0.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5514 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5514 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0658 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0658 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5801 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5801 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5801 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5801 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0658 1.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0658 1.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5514 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5514 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0513 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0513 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4506 0.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4506 0.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0934 1.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0934 1.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4500 -1.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4500 -1.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4491 -1.1877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4491 -1.1877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4461 -0.0789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4461 -0.0789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3122 -0.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3122 -0.5789 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 |
| − | 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 9 17 1 1 0 0 0 | + | 9 17 1 1 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 7 21 2 0 0 0 0 | + | 7 21 2 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 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 1.7361 0.2148 | + | M SVB 1 24 1.7361 0.2148 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FADNS0001 | + | ID FL2FADNS0001 |
| − | KNApSAcK_ID C00000969 | + | KNApSAcK_ID C00000969 |
| − | NAME Homoeriodictyol | + | NAME Homoeriodictyol |
| − | CAS_RN 446-71-9 | + | CAS_RN 446-71-9 |
| − | FORMULA C16H14O6 | + | FORMULA C16H14O6 |
| − | EXACTMASS 302.07903818 | + | EXACTMASS 302.07903818 |
| − | AVERAGEMASS 302.27876000000003 | + | AVERAGEMASS 302.27876000000003 |
| − | SMILES COc(c(O)3)cc(cc3)[C@]([H])(C1)Oc(c2)c(c(O)cc(O)2)C(=O)1 | + | SMILES COc(c(O)3)cc(cc3)[C@]([H])(C1)Oc(c2)c(c(O)cc(O)2)C(=O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.9505 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9505 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4500 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9496 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9496 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4500 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4491 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0513 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0513 0.1323 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4491 0.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5514 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0658 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5801 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5801 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0658 1.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5514 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0513 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4506 0.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0934 1.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4500 -1.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4491 -1.1877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4461 -0.0789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3122 -0.5789 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
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
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
9 17 1 1 0 0 0
1 18 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
7 21 2 0 0 0 0
13 22 1 0 0 0 0
22 23 1 0 0 0 0
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 1.7361 0.2148
S SKP 8
ID FL2FADNS0001
KNApSAcK_ID C00000969
NAME Homoeriodictyol
CAS_RN 446-71-9
FORMULA C16H14O6
EXACTMASS 302.07903818
AVERAGEMASS 302.27876000000003
SMILES COc(c(O)3)cc(cc3)[C@]([H])(C1)Oc(c2)c(c(O)cc(O)2)C(=O)1
M END
