Mol:FL5FACNP0002
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 40 0 0 0 0 0 0 0 0999 V2000 | + | 37 40 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5235 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5235 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5235 -0.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5235 -0.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9672 -0.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9672 -0.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4109 -0.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4109 -0.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4109 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4109 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9672 0.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9672 0.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8546 -0.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8546 -0.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2983 -0.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2983 -0.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2983 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2983 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8546 0.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8546 0.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8546 -1.4593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8546 -1.4593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2578 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2578 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8248 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8248 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3918 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3918 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3918 0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3918 0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8248 1.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8248 1.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2578 0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2578 0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2578 -0.9584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2578 -0.9584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0798 0.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0798 0.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9672 0.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9672 0.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5233 1.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5233 1.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8248 1.9627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8248 1.9627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9672 -1.6006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9672 -1.6006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4111 1.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4111 1.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9672 1.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9672 1.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4292 1.9211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4292 1.9211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8248 -0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8248 -0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3916 -0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3916 -0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3916 -1.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3916 -1.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9572 -1.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9572 -1.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8260 -1.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8260 -1.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9548 0.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9548 0.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5177 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5177 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5177 0.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5177 0.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9548 1.3012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9548 1.3012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0798 1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0798 1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5177 1.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5177 1.6252 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 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 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 3 23 1 0 0 0 0 | + | 3 23 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 20 25 1 0 0 0 0 | + | 20 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 13 27 1 0 0 0 0 | + | 13 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 14 32 1 0 0 0 0 | + | 14 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 15 1 0 0 0 0 | + | 35 15 1 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 34 37 1 0 0 0 0 | + | 34 37 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FACNP0002 | + | ID FL5FACNP0002 |
| − | KNApSAcK_ID C00005087 | + | KNApSAcK_ID C00005087 |
| − | NAME Broussoflavonol D | + | NAME Broussoflavonol D |
| − | CAS_RN 104494-30-6 | + | CAS_RN 104494-30-6 |
| − | FORMULA C30H32O7 | + | FORMULA C30H32O7 |
| − | EXACTMASS 504.214803378 | + | EXACTMASS 504.214803378 |
| − | AVERAGEMASS 504.57088 | + | AVERAGEMASS 504.57088 |
| − | SMILES c(O)(c21)cc(O)c(C(C)(C)C=C)c1OC(c(c4)c(c(c(c4O)3)C=CC(O3)(C)C)CC=C(C)C)=C(C2=O)O | + | SMILES c(O)(c21)cc(O)c(C(C)(C)C=C)c1OC(c(c4)c(c(c(c4O)3)C=CC(O3)(C)C)CC=C(C)C)=C(C2=O)O |
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 40 0 0 0 0 0 0 0 0999 V2000
-2.5235 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5235 -0.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9672 -0.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4109 -0.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4109 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9672 0.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8546 -0.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2983 -0.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2983 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8546 0.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8546 -1.4593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2578 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8248 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3918 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3918 0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8248 1.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2578 0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2578 -0.9584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0798 0.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9672 0.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5233 1.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8248 1.9627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9672 -1.6006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4111 1.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9672 1.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4292 1.9211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8248 -0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3916 -0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3916 -1.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9572 -1.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8260 -1.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9548 0.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5177 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5177 0.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9548 1.3012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0798 1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5177 1.6252 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 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
1 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
16 22 1 0 0 0 0
3 23 1 0 0 0 0
20 24 1 0 0 0 0
20 25 1 0 0 0 0
25 26 2 0 0 0 0
13 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
14 32 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 15 1 0 0 0 0
34 36 1 0 0 0 0
34 37 1 0 0 0 0
S SKP 8
ID FL5FACNP0002
KNApSAcK_ID C00005087
NAME Broussoflavonol D
CAS_RN 104494-30-6
FORMULA C30H32O7
EXACTMASS 504.214803378
AVERAGEMASS 504.57088
SMILES c(O)(c21)cc(O)c(C(C)(C)C=C)c1OC(c(c4)c(c(c(c4O)3)C=CC(O3)(C)C)CC=C(C)C)=C(C2=O)O
M END
