Mol:FL63ACNC0001
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 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6849 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6849 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6849 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6849 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1286 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1286 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5723 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5723 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5723 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5723 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1286 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1286 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0160 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0160 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5403 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5403 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5403 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5403 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0160 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0160 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0964 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0964 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6633 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6633 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2303 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2303 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2303 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2303 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6633 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6633 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0964 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0964 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2410 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2410 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7971 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7971 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1286 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1286 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0964 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0964 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6633 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6633 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1288 0.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1288 0.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6849 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6849 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2410 0.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2410 0.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7971 1.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7971 1.1083 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 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 6 0 0 0 | + | 9 11 1 6 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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 8 20 1 1 0 0 0 | + | 8 20 1 1 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 17 1 0 0 0 0 | + | 24 17 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL63ACNC0001 | + | ID FL63ACNC0001 |
| − | KNApSAcK_ID C00008968 | + | KNApSAcK_ID C00008968 |
| − | NAME Phyllocoumarin | + | NAME Phyllocoumarin |
| − | CAS_RN 124902-13-2 | + | CAS_RN 124902-13-2 |
| − | FORMULA C18H14O7 | + | FORMULA C18H14O7 |
| − | EXACTMASS 342.073952802 | + | EXACTMASS 342.073952802 |
| − | AVERAGEMASS 342.29956000000004 | + | AVERAGEMASS 342.29956000000004 |
| − | SMILES C(C3c(c4)cc(O)c(O)c4)(O)Cc(c(O)2)c(O3)c(c1c2)C=CC(=O)O1 | + | SMILES C(C3c(c4)cc(O)c(O)c4)(O)Cc(c(O)2)c(O3)c(c1c2)C=CC(=O)O1 |
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 28 0 0 0 0 0 0 0 0999 V2000
-1.6849 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6849 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1286 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5723 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5723 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1286 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0160 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5403 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5403 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0160 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0964 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6633 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2303 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2303 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6633 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0964 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2410 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7971 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1286 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0964 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6633 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1288 0.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6849 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2410 0.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7971 1.1083 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 6 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
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
8 20 1 1 0 0 0
15 21 1 0 0 0 0
6 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 17 1 0 0 0 0
24 25 2 0 0 0 0
S SKP 8
ID FL63ACNC0001
KNApSAcK_ID C00008968
NAME Phyllocoumarin
CAS_RN 124902-13-2
FORMULA C18H14O7
EXACTMASS 342.073952802
AVERAGEMASS 342.29956000000004
SMILES C(C3c(c4)cc(O)c(O)c4)(O)Cc(c(O)2)c(O3)c(c1c2)C=CC(=O)O1
M END
