Mol:FLNA2ANS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9985 1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9985 1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9985 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9985 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4981 0.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4981 0.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0024 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0024 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0024 1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0024 1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4981 1.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4981 1.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5028 0.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5028 0.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0033 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0033 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0033 1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0033 1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5028 1.5454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5028 1.5454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4987 0.3898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4987 0.3898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5028 -0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5028 -0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0202 -0.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0202 -0.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0202 -1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0202 -1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5028 -1.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5028 -1.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9854 -1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9854 -1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9854 -0.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9854 -0.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4987 1.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4987 1.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5028 -1.8593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5028 -1.8593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3649 1.8593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3649 1.8593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8842 2.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8842 2.7139 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 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 |
| − | 2 11 1 0 0 0 0 | + | 2 11 1 0 0 0 0 |
| − | 7 12 1 0 0 0 0 | + | 7 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 |
| − | 9 18 2 0 0 0 0 | + | 9 18 2 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 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 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 -1.3649 1.8593 | + | M SVB 1 22 -1.3649 1.8593 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNA2ANS0001 | + | ID FLNA2ANS0001 |
| − | KNApSAcK_ID C00002548 | + | KNApSAcK_ID C00002548 |
| − | NAME Melannin;Melanettin | + | NAME Melannin;Melanettin |
| − | CAS_RN 58115-08-5 | + | CAS_RN 58115-08-5 |
| − | FORMULA C16H12O5 | + | FORMULA C16H12O5 |
| − | EXACTMASS 284.068473494 | + | EXACTMASS 284.068473494 |
| − | AVERAGEMASS 284.26348 | + | AVERAGEMASS 284.26348 |
| − | SMILES COc(c3)c(O)cc(c23)C(=CC(=O)O2)c(c1)ccc(O)c1 | + | SMILES COc(c3)c(O)cc(c23)C(=CC(=O)O2)c(c1)ccc(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-0.9985 1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9985 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4981 0.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0024 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0024 1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4981 1.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5028 0.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0033 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0033 1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5028 1.5454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4987 0.3898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5028 -0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0202 -0.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0202 -1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5028 -1.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9854 -1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9854 -0.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4987 1.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5028 -1.8593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3649 1.8593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8842 2.7139 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
2 11 1 0 0 0 0
7 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
9 18 2 0 0 0 0
15 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -1.3649 1.8593
S SKP 8
ID FLNA2ANS0001
KNApSAcK_ID C00002548
NAME Melannin;Melanettin
CAS_RN 58115-08-5
FORMULA C16H12O5
EXACTMASS 284.068473494
AVERAGEMASS 284.26348
SMILES COc(c3)c(O)cc(c23)C(=CC(=O)O2)c(c1)ccc(O)c1
M END
