Mol:FL2FQUNN0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 39 0 0 0 0 0 0 0 0999 V2000 | + | 34 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1774 -1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1774 -1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6565 -1.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6565 -1.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1356 -1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1356 -1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1356 -0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1356 -0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6565 -0.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6565 -0.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1774 -0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1774 -0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6565 -2.2672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6565 -2.2672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6978 -0.5591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6978 -0.5591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6148 -1.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6148 -1.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0939 -1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0939 -1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0939 -0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0939 -0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6148 -0.5588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6148 -0.5588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4265 -0.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4265 -0.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6148 -2.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6148 -2.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7838 0.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7838 0.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4675 0.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4675 0.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0656 -0.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0656 -0.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6325 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6325 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9915 -0.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9915 -0.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0327 0.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0327 0.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6707 0.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6707 0.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6978 0.1137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6978 0.1137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4311 0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4311 0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6251 0.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6251 0.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6251 1.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6251 1.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1100 1.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1100 1.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4052 1.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4052 1.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4052 0.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4052 0.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1100 0.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1100 0.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9196 1.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9196 1.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5735 -0.8544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5735 -0.8544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6325 -1.4606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6325 -1.4606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3672 2.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3672 2.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0817 1.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0817 1.8732 0.0000 C 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 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 6 8 1 0 0 0 0 | + | 6 8 1 0 0 0 0 |
| − | 3 9 1 0 0 0 0 | + | 3 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 4 1 0 0 0 0 | + | 12 4 1 0 0 0 0 |
| − | 11 13 1 6 0 0 0 | + | 11 13 1 6 0 0 0 |
| − | 9 14 2 0 0 0 0 | + | 9 14 2 0 0 0 0 |
| − | 13 15 2 0 0 0 0 | + | 13 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 13 1 0 0 0 0 | + | 19 13 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 16 1 0 0 0 0 | + | 21 16 1 0 0 0 0 |
| − | 17 22 1 0 0 0 0 | + | 17 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 21 1 0 0 0 0 | + | 23 21 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 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 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 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 17 31 1 6 0 0 0 | + | 17 31 1 6 0 0 0 |
| − | 18 32 2 0 0 0 0 | + | 18 32 2 0 0 0 0 |
| − | 26 33 1 0 0 0 0 | + | 26 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 33 34 | + | M SAL 1 2 33 34 |
| − | M SBL 1 1 38 | + | M SBL 1 1 38 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 38 -4.8712 5.9070 | + | M SBV 1 38 -4.8712 5.9070 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FQUNN0001 | + | ID FL2FQUNN0001 |
| − | KNApSAcK_ID C00008375 | + | KNApSAcK_ID C00008375 |
| − | NAME Silymonin | + | NAME Silymonin |
| − | CAS_RN 70815-31-5 | + | CAS_RN 70815-31-5 |
| − | FORMULA C25H22O9 | + | FORMULA C25H22O9 |
| − | EXACTMASS 466.126382302 | + | EXACTMASS 466.126382302 |
| − | AVERAGEMASS 466.43678 | + | AVERAGEMASS 466.43678 |
| − | SMILES C(C63)(C5(O)OC6)C=C(C(C(=O)5)C(c(c4)cc(OC)c(c4)O)3)C(O1)CC(=O)c(c2O)c(cc(c2)O)1 | + | SMILES C(C63)(C5(O)OC6)C=C(C(C(=O)5)C(c(c4)cc(OC)c(c4)O)3)C(O1)CC(=O)c(c2O)c(cc(c2)O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 39 0 0 0 0 0 0 0 0999 V2000
-2.1774 -1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6565 -1.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1356 -1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1356 -0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6565 -0.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1774 -0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6565 -2.2672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6978 -0.5591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6148 -1.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0939 -1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0939 -0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6148 -0.5588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4265 -0.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6148 -2.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7838 0.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4675 0.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0656 -0.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6325 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9915 -0.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0327 0.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6707 0.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6978 0.1137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4311 0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6251 0.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6251 1.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1100 1.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4052 1.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4052 0.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1100 0.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9196 1.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5735 -0.8544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6325 -1.4606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3672 2.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0817 1.8732 0.0000 C 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 1 1 0 0 0 0
2 7 1 0 0 0 0
6 8 1 0 0 0 0
3 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 4 1 0 0 0 0
11 13 1 6 0 0 0
9 14 2 0 0 0 0
13 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 13 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 16 1 0 0 0 0
17 22 1 0 0 0 0
22 23 1 0 0 0 0
23 21 1 0 0 0 0
20 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 24 1 0 0 0 0
27 30 1 0 0 0 0
17 31 1 6 0 0 0
18 32 2 0 0 0 0
26 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 38
M SMT 1 OCH3
M SBV 1 38 -4.8712 5.9070
S SKP 8
ID FL2FQUNN0001
KNApSAcK_ID C00008375
NAME Silymonin
CAS_RN 70815-31-5
FORMULA C25H22O9
EXACTMASS 466.126382302
AVERAGEMASS 466.43678
SMILES C(C63)(C5(O)OC6)C=C(C(C(=O)5)C(c(c4)cc(OC)c(c4)O)3)C(O1)CC(=O)c(c2O)c(cc(c2)O)1
M END
