Mol:FL5F4ANS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4150 -1.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4150 -1.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0186 -1.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0186 -1.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5107 -1.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5107 -1.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3991 -2.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3991 -2.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7956 -2.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7956 -2.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3035 -1.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3035 -1.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8912 -2.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8912 -2.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7797 -3.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7797 -3.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1761 -3.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1761 -3.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6840 -2.9360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6840 -2.9360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3618 -2.3254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3618 -2.3254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0646 -3.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0646 -3.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5660 -4.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5660 -4.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4524 -5.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4524 -5.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8372 -5.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8372 -5.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3357 -4.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3357 -4.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4493 -4.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4493 -4.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7113 -1.1338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7113 -1.1338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2735 -0.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2735 -0.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5822 -0.4652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5822 -0.4652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2966 -0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2966 -0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5457 -3.7721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5457 -3.7721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3117 -4.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3117 -4.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7235 -5.9153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7235 -5.9153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3555 -6.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3555 -6.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8600 -2.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8600 -2.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1638 -3.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1638 -3.0656 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 8 22 1 0 0 0 0 | + | 8 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 15 24 1 0 0 0 0 | + | 15 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 6 26 1 0 0 0 0 | + | 6 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | M STY 1 5 SUP | + | M STY 1 5 SUP |
| − | M SLB 1 5 5 | + | M SLB 1 5 5 |
| − | M SAL 5 2 26 27 | + | M SAL 5 2 26 27 |
| − | M SBL 5 1 28 | + | M SBL 5 1 28 |
| − | M SMT 5 OCH3 | + | M SMT 5 OCH3 |
| − | M SVB 5 28 -1.4067 0.9749 | + | M SVB 5 28 -1.4067 0.9749 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 24 25 | + | M SAL 4 2 24 25 |
| − | M SBL 4 1 26 | + | M SBL 4 1 26 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 26 2.241 1.3836 | + | M SVB 4 26 2.241 1.3836 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 22 23 | + | M SAL 3 2 22 23 |
| − | M SBL 3 1 24 | + | M SBL 3 1 24 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 24 0.183 -0.768 | + | M SVB 3 24 0.183 -0.768 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 20 21 | + | M SAL 2 2 20 21 |
| − | M SBL 2 1 22 | + | M SBL 2 1 22 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 22 -2.9555 -0.4703 | + | M SVB 2 22 -2.9555 -0.4703 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 18 19 | + | M SAL 1 2 18 19 |
| − | M SBL 1 1 20 | + | M SBL 1 1 20 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 20 -2.5983 0.6994 | + | M SVB 1 20 -2.5983 0.6994 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5F4ANS0001 | + | ID FL5F4ANS0001 |
| − | KNApSAcK_ID C00004657 | + | KNApSAcK_ID C00004657 |
| − | NAME Auranetin | + | NAME Auranetin |
| − | CAS_RN 522-16-7 | + | CAS_RN 522-16-7 |
| − | FORMULA C20H20O7 | + | FORMULA C20H20O7 |
| − | EXACTMASS 372.120902994 | + | EXACTMASS 372.120902994 |
| − | AVERAGEMASS 372.3686 | + | AVERAGEMASS 372.3686 |
| − | SMILES c(c21)(C(C(=C(c(c3)ccc(OC)c3)O2)OC)=O)cc(c(c1OC)OC)OC | + | SMILES c(c21)(C(C(=C(c(c3)ccc(OC)c3)O2)OC)=O)cc(c(c1OC)OC)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.4150 -1.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0186 -1.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5107 -1.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3991 -2.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7956 -2.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3035 -1.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8912 -2.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7797 -3.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1761 -3.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6840 -2.9360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3618 -2.3254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0646 -3.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5660 -4.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4524 -5.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8372 -5.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3357 -4.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4493 -4.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7113 -1.1338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2735 -0.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5822 -0.4652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2966 -0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5457 -3.7721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3117 -4.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7235 -5.9153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3555 -6.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8600 -2.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1638 -3.0656 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
1 18 1 0 0 0 0
18 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
8 22 1 0 0 0 0
22 23 1 0 0 0 0
15 24 1 0 0 0 0
24 25 1 0 0 0 0
6 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 26 27
M SBL 5 1 28
M SMT 5 OCH3
M SVB 5 28 -1.4067 0.9749
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 24 25
M SBL 4 1 26
M SMT 4 OCH3
M SVB 4 26 2.241 1.3836
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 22 23
M SBL 3 1 24
M SMT 3 OCH3
M SVB 3 24 0.183 -0.768
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 -2.9555 -0.4703
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 -2.5983 0.6994
S SKP 8
ID FL5F4ANS0001
KNApSAcK_ID C00004657
NAME Auranetin
CAS_RN 522-16-7
FORMULA C20H20O7
EXACTMASS 372.120902994
AVERAGEMASS 372.3686
SMILES c(c21)(C(C(=C(c(c3)ccc(OC)c3)O2)OC)=O)cc(c(c1OC)OC)OC
M END
