Mol:FL5FACNI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 39 0 0 0 0 0 0 0 0999 V2000 | + | 37 39 0 0 0 0 0 0 0 0999 V2000 |
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| − | -1.9630 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -1.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -1.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -1.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -0.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -0.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -2.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -2.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 0.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 0.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8420 -1.7782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8420 -1.7782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -2.4351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -2.4351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5191 0.4736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5191 0.4736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5191 -0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5191 -0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 0.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 0.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9628 0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9628 0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8506 0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8506 0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 0.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 0.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5189 0.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5189 0.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2515 0.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2515 0.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2515 1.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2515 1.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3141 1.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3141 1.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3141 2.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3141 2.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8797 1.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8797 1.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9521 1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9521 1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9521 2.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9521 2.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3865 2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3865 2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5177 2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5177 2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5191 -0.8356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5191 -0.8356 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 24 27 2 0 0 0 0 | + | 24 27 2 0 0 0 0 |
| − | 17 28 1 0 0 0 0 | + | 17 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 22 33 1 0 0 0 0 | + | 22 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 14 37 1 0 0 0 0 | + | 14 37 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FACNI0003 | + | ID FL5FACNI0003 |
| − | KNApSAcK_ID C00005033 | + | KNApSAcK_ID C00005033 |
| − | NAME Broussoflavonol C | + | NAME Broussoflavonol C |
| − | CAS_RN 104494-29-3 | + | CAS_RN 104494-29-3 |
| − | FORMULA C30H34O7 | + | FORMULA C30H34O7 |
| − | EXACTMASS 506.230453442 | + | EXACTMASS 506.230453442 |
| − | AVERAGEMASS 506.58676 | + | AVERAGEMASS 506.58676 |
| − | SMILES c(c12)(OC(c(c3)c(CC=C(C)C)c(c(c(O)3)O)CC=C(C)C)=C(O)C(=O)2)c(c(O)cc1O)C(C)(C)C=C | + | SMILES c(c12)(OC(c(c3)c(CC=C(C)C)c(c(c(O)3)O)CC=C(C)C)=C(O)C(=O)2)c(c(O)cc1O)C(C)(C)C=C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
37 39 0 0 0 0 0 0 0 0999 V2000
-1.9630 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -0.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -2.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 0.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8420 -1.7782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -2.4351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5191 0.4736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 -0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 0.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9628 0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8506 0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 0.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5189 0.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2515 0.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2515 1.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3141 1.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3141 2.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8797 1.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9521 1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9521 2.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3865 2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5177 2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5191 -0.8356 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 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 12 1 0 0 0 0
8 18 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
1 21 1 0 0 0 0
16 22 1 0 0 0 0
6 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
23 26 1 0 0 0 0
24 27 2 0 0 0 0
17 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
30 32 1 0 0 0 0
22 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
34 36 1 0 0 0 0
14 37 1 0 0 0 0
S SKP 8
ID FL5FACNI0003
KNApSAcK_ID C00005033
NAME Broussoflavonol C
CAS_RN 104494-29-3
FORMULA C30H34O7
EXACTMASS 506.230453442
AVERAGEMASS 506.58676
SMILES c(c12)(OC(c(c3)c(CC=C(C)C)c(c(c(O)3)O)CC=C(C)C)=C(O)C(=O)2)c(c(O)cc1O)C(C)(C)C=C
M END
