Mol:FL5FFANS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7962 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7962 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7962 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7962 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2957 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2957 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7953 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7953 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7953 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7953 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2957 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2957 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2948 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2948 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2056 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2056 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2056 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2056 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2948 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2948 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7057 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7057 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2361 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2361 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7664 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7664 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7664 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7664 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2361 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2361 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7057 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7057 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2948 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2948 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2963 0.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2963 0.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2957 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2957 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2963 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2963 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7057 -0.7481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7057 -0.7481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0457 0.9643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0457 0.9643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6362 1.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6362 1.8766 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 -1.0457 0.9643 | + | M SVB 1 24 -1.0457 0.9643 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFANS0002 | + | ID FL5FFANS0002 |
| − | KNApSAcK_ID C00001100 | + | KNApSAcK_ID C00001100 |
| − | NAME Sexangularetin | + | NAME Sexangularetin |
| − | CAS_RN 571-74-4 | + | CAS_RN 571-74-4 |
| − | FORMULA C16H12O7 | + | FORMULA C16H12O7 |
| − | EXACTMASS 316.058302738 | + | EXACTMASS 316.058302738 |
| − | AVERAGEMASS 316.26228000000003 | + | AVERAGEMASS 316.26228000000003 |
| − | SMILES COc(c(O)3)c(O1)c(c(O)c3)C(=O)C(O)=C(c(c2)ccc(O)c2)1 | + | SMILES COc(c(O)3)c(O1)c(c(O)c3)C(=O)C(O)=C(c(c2)ccc(O)c2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.7962 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7962 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2957 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7953 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7953 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2957 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2948 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2056 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2056 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2948 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7057 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2361 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7664 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7664 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2361 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7057 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2948 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2963 0.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2957 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2963 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7057 -0.7481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0457 0.9643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6362 1.8766 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
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
14 20 1 0 0 0 0
8 21 1 0 0 0 0
6 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 -1.0457 0.9643
S SKP 8
ID FL5FFANS0002
KNApSAcK_ID C00001100
NAME Sexangularetin
CAS_RN 571-74-4
FORMULA C16H12O7
EXACTMASS 316.058302738
AVERAGEMASS 316.26228000000003
SMILES COc(c(O)3)c(O1)c(c(O)c3)C(=O)C(O)=C(c(c2)ccc(O)c2)1
M END
