Mol:FL2FA9NC0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 43 48 0 0 0 0 0 0 0 0999 V2000 | + | 43 48 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.9751 -1.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9751 -1.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9893 -0.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9893 -0.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7301 -1.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7301 -1.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4039 -1.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4039 -1.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3947 -0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3947 -0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7108 0.0048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7108 0.0048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 4.5381 0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5381 0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5381 0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5381 0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8236 1.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8236 1.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.4394 -0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4394 -0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.2821 -1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2821 -1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2821 -2.3230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2821 -2.3230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2821 0.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2821 0.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.0420 -0.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0420 -0.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0696 -1.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0696 -1.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.3837 0.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3837 0.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.0981 -1.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0981 -1.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.3837 -2.3538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3837 -2.3538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3558 1.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3558 1.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0702 2.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0702 2.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7847 1.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7847 1.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7847 1.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7847 1.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0702 0.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0702 0.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5121 0.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5121 0.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1091 1.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1091 1.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1091 1.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1091 1.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8236 2.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8236 2.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5381 1.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5381 1.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5381 1.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5381 1.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8236 0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8236 0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8236 0.0044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8236 0.0044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3163 2.3629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3163 2.3629 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 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 6 0 0 0 | + | 5 7 1 6 0 0 0 |
| − | 3 8 2 0 0 0 0 | + | 3 8 2 0 0 0 0 |
| − | 7 9 2 0 0 0 0 | + | 7 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 7 1 0 0 0 0 | + | 13 7 1 0 0 0 0 |
| − | 2 14 1 0 0 0 0 | + | 2 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 1 1 0 0 0 0 | + | 17 1 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 20 30 2 0 0 0 0 | + | 20 30 2 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 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 34 20 1 0 0 0 0 | + | 34 20 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 41 2 0 0 0 0 | + | 40 41 2 0 0 0 0 |
| − | 41 36 1 0 0 0 0 | + | 41 36 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 30 43 1 0 0 0 0 | + | 30 43 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NC0006 | + | ID FL2FA9NC0006 |
| − | KNApSAcK_ID C00014264 | + | KNApSAcK_ID C00014264 |
| − | NAME Isouvarinol;(S)-5,7-Dihydroxy-6-(2-hydroxybenzyl)-8-(2x2-hydroxybenzyl)flavanone | + | NAME Isouvarinol;(S)-5,7-Dihydroxy-6-(2-hydroxybenzyl)-8-(2x2-hydroxybenzyl)flavanone |
| − | CAS_RN 152841-80-0 | + | CAS_RN 152841-80-0 |
| − | FORMULA C36H30O7 | + | FORMULA C36H30O7 |
| − | EXACTMASS 574.199153314 | + | EXACTMASS 574.199153314 |
| − | AVERAGEMASS 574.6192 | + | AVERAGEMASS 574.6192 |
| − | SMILES C(C3)(c(c6)cccc6)Oc(c(Cc(c4)c(ccc(Cc(c5)c(ccc5)O)4)O)1)c(C3=O)c(c(Cc(c2)c(O)ccc2)c(O)1)O | + | SMILES C(C3)(c(c6)cccc6)Oc(c(Cc(c4)c(ccc(Cc(c5)c(ccc5)O)4)O)1)c(C3=O)c(c(Cc(c2)c(O)ccc2)c(O)1)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/
43 48 0 0 0 0 0 0 0 0999 V2000
0.9751 -1.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9893 -0.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7301 -1.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4039 -1.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3947 -0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7108 0.0048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1091 0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7301 -2.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8236 -0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5381 0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5381 0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8236 1.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1091 0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2821 0.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4394 -0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4394 -1.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2821 -1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2821 -2.3230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2821 0.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3558 1.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0420 -0.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0696 -1.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6692 -1.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6692 -0.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3837 0.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0981 -0.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0981 -1.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3837 -1.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3837 -2.3538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3558 1.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0702 2.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7847 1.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7847 1.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0702 0.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5121 0.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1091 1.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1091 1.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8236 2.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5381 1.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5381 1.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8236 0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8236 0.0044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3163 2.3629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 2 1 0 0 0 0
5 7 1 6 0 0 0
3 8 2 0 0 0 0
7 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 7 1 0 0 0 0
2 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 1 1 0 0 0 0
17 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
15 21 1 0 0 0 0
16 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
20 30 2 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
33 34 2 0 0 0 0
34 20 1 0 0 0 0
33 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
41 36 1 0 0 0 0
41 42 1 0 0 0 0
30 43 1 0 0 0 0
S SKP 8
ID FL2FA9NC0006
KNApSAcK_ID C00014264
NAME Isouvarinol;(S)-5,7-Dihydroxy-6-(2-hydroxybenzyl)-8-(2x2-hydroxybenzyl)flavanone
CAS_RN 152841-80-0
FORMULA C36H30O7
EXACTMASS 574.199153314
AVERAGEMASS 574.6192
SMILES C(C3)(c(c6)cccc6)Oc(c(Cc(c4)c(ccc(Cc(c5)c(ccc5)O)4)O)1)c(C3=O)c(c(Cc(c2)c(O)ccc2)c(O)1)O
M END
