Mol:FL2F1ANP0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.7777 -0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7777 -0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7777 -1.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7777 -1.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2214 -1.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2214 -1.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6651 -1.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6651 -1.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6651 -0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6651 -0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2214 -0.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2214 -0.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1088 -1.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1088 -1.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5525 -1.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5525 -1.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5525 -0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5525 -0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1088 -0.2029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1088 -0.2029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0036 -0.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0036 -0.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5706 -0.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5706 -0.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1376 -0.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1376 -0.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1376 0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1376 0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5706 0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5706 0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0036 0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0036 0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1088 -2.0315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1088 -2.0315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7044 0.7789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7044 0.7789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2214 0.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2214 0.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7775 0.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7775 0.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7775 1.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7775 1.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2214 1.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2214 1.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3336 1.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3336 1.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4012 -0.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4012 -0.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7045 1.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7045 1.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1376 1.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1376 1.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5706 1.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5706 1.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0497 2.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0497 2.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2993 1.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2993 1.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7044 -0.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7044 -0.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2700 -0.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2700 -0.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8356 -0.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8356 -0.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8356 -1.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8356 -1.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4012 -0.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4012 -0.2038 0.0000 C 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 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 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 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 24 1 1 0 0 0 0 | + | 24 1 1 0 0 0 0 |
| − | 18 25 1 0 0 0 0 | + | 18 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 15 1 0 0 0 0 | + | 27 15 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 13 30 1 0 0 0 0 | + | 13 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F1ANP0003 | + | ID FL2F1ANP0003 |
| − | KNApSAcK_ID C00008251 | + | KNApSAcK_ID C00008251 |
| − | NAME Sophoranochromene | + | NAME Sophoranochromene |
| − | CAS_RN 23057-59-2 | + | CAS_RN 23057-59-2 |
| − | FORMULA C30H34O4 | + | FORMULA C30H34O4 |
| − | EXACTMASS 458.24570957599997 | + | EXACTMASS 458.24570957599997 |
| − | AVERAGEMASS 458.58856000000003 | + | AVERAGEMASS 458.58856000000003 |
| − | SMILES C(C)(C)=CCc(c12)c(O)ccc(C(CC(c(c4)cc(c3c4CC=C(C)C)C=CC(C)(C)O3)O2)=O)1 | + | SMILES C(C)(C)=CCc(c12)c(O)ccc(C(CC(c(c4)cc(c3c4CC=C(C)C)C=CC(C)(C)O3)O2)=O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-2.7777 -0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7777 -1.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2214 -1.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6651 -1.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6651 -0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2214 -0.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1088 -1.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5525 -1.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5525 -0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1088 -0.2029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0036 -0.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5706 -0.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1376 -0.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1376 0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5706 0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0036 0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1088 -2.0315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7044 0.7789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2214 0.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7775 0.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7775 1.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2214 1.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3336 1.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4012 -0.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7045 1.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1376 1.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5706 1.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0497 2.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2993 1.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7044 -0.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2700 -0.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8356 -0.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8356 -1.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4012 -0.2038 0.0000 C 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 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
14 18 1 0 0 0 0
6 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
24 1 1 0 0 0 0
18 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 15 1 0 0 0 0
25 28 1 0 0 0 0
25 29 1 0 0 0 0
13 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
32 34 1 0 0 0 0
S SKP 8
ID FL2F1ANP0003
KNApSAcK_ID C00008251
NAME Sophoranochromene
CAS_RN 23057-59-2
FORMULA C30H34O4
EXACTMASS 458.24570957599997
AVERAGEMASS 458.58856000000003
SMILES C(C)(C)=CCc(c12)c(O)ccc(C(CC(c(c4)cc(c3c4CC=C(C)C)C=CC(C)(C)O3)O2)=O)1
M END
