Mol:FLNABENM0001
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 |
| − | -1.0639 1.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0639 1.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5076 1.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5076 1.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0485 1.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0485 1.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0485 0.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0485 0.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6253 0.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6253 0.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2020 0.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2020 0.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2020 1.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2020 1.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6253 1.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6253 1.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0639 0.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0639 0.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5076 0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5076 0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6253 -0.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6253 -0.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0723 -0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0723 -0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0723 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0723 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6253 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6253 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1782 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1782 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1782 -0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1782 -0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7783 1.9229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7783 1.9229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6200 1.9111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6200 1.9111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7307 -1.3509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7307 -1.3509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1871 -1.5107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1871 -1.5107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9015 -1.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9015 -1.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5075 -0.3730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5075 -0.3730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5074 -1.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5074 -1.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7783 1.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7783 1.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3842 0.2439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3842 0.2439 0.0000 O 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 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 3 1 0 0 0 0 | + | 8 3 1 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 5 11 1 0 0 0 0 | + | 5 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 10 22 1 0 0 0 0 | + | 10 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 9 24 1 0 0 0 0 | + | 9 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 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 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 -0.9466 0.462 | + | M SVB 2 24 -0.9466 0.462 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 0.1871 -1.5107 | + | M SVB 1 22 0.1871 -1.5107 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNABENM0001 | + | ID FLNABENM0001 |
| − | KNApSAcK_ID C00010244 | + | KNApSAcK_ID C00010244 |
| − | NAME 7,3'-Dihydroxy-5,4'-dimethoxy-6-formyl-4-phenylcoumarin | + | NAME 7,3'-Dihydroxy-5,4'-dimethoxy-6-formyl-4-phenylcoumarin |
| − | CAS_RN 91377-14-9 | + | CAS_RN 91377-14-9 |
| − | FORMULA C18H14O7 | + | FORMULA C18H14O7 |
| − | EXACTMASS 342.073952802 | + | EXACTMASS 342.073952802 |
| − | AVERAGEMASS 342.29956000000004 | + | AVERAGEMASS 342.29956000000004 |
| − | SMILES c(c3C=O)(O)cc(c(c3OC)1)OC(=O)C=C(c(c2)cc(O)c(OC)c2)1 | + | SMILES c(c3C=O)(O)cc(c(c3OC)1)OC(=O)C=C(c(c2)cc(O)c(OC)c2)1 |
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
-1.0639 1.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5076 1.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0485 1.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0485 0.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6253 0.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2020 0.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2020 1.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6253 1.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0639 0.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5076 0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6253 -0.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0723 -0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0723 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6253 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1782 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1782 -0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7783 1.9229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6200 1.9111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7307 -1.3509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1871 -1.5107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9015 -1.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5075 -0.3730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5074 -1.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7783 1.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3842 0.2439 0.0000 O 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 7 1 0 0 0 0
7 8 1 0 0 0 0
8 3 1 0 0 0 0
1 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
5 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
7 17 2 0 0 0 0
1 18 1 0 0 0 0
15 19 1 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
10 22 1 0 0 0 0
22 23 1 0 0 0 0
9 24 1 0 0 0 0
24 25 2 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 -0.9466 0.462
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 0.1871 -1.5107
S SKP 8
ID FLNABENM0001
KNApSAcK_ID C00010244
NAME 7,3'-Dihydroxy-5,4'-dimethoxy-6-formyl-4-phenylcoumarin
CAS_RN 91377-14-9
FORMULA C18H14O7
EXACTMASS 342.073952802
AVERAGEMASS 342.29956000000004
SMILES c(c3C=O)(O)cc(c(c3OC)1)OC(=O)C=C(c(c2)cc(O)c(OC)c2)1
M END
