Mol:FL5FF8NSH001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6027 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6027 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6027 -0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6027 -0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1022 -1.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1022 -1.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6018 -0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6018 -0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6018 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6018 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1022 0.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1022 0.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1013 -1.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1013 -1.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3991 -0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3991 -0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3991 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3991 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1013 0.1015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1013 0.1015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8992 0.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8992 0.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4296 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4296 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9599 0.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9599 0.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9599 0.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9599 0.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4296 1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4296 1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8992 0.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8992 0.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1022 -1.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1022 -1.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1013 -1.6314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1013 -1.6314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3693 1.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3693 1.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4296 1.6318 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4296 1.6318 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8522 0.6584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8522 0.6584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4427 1.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4427 1.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2651 -1.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2651 -1.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1312 -1.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1312 -1.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9599 0.4313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9599 0.4313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4598 1.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4598 1.2974 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 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 8 23 1 0 0 0 0 | + | 8 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 1 25 1 0 0 0 0 | + | 1 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 25 26 | + | M SAL 3 2 25 26 |
| − | M SBL 3 1 27 | + | M SBL 3 1 27 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 27 -1.9599 0.4313 | + | M SVB 3 27 -1.9599 0.4313 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 25 0.542 -0.9716 | + | M SVB 2 25 0.542 -0.9716 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 -0.8522 0.6584 | + | M SVB 1 23 -0.8522 0.6584 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FF8NSH001 | + | ID FL5FF8NSH001 |
| − | KNApSAcK_ID C00001026 | + | KNApSAcK_ID C00001026 |
| − | NAME Chlorflavonin | + | NAME Chlorflavonin |
| − | CAS_RN 23363-64-6 | + | CAS_RN 23363-64-6 |
| − | FORMULA C18H15ClO7 | + | FORMULA C18H15ClO7 |
| − | EXACTMASS 378.050630544 | + | EXACTMASS 378.050630544 |
| − | AVERAGEMASS 378.76019999999994 | + | AVERAGEMASS 378.76019999999994 |
| − | SMILES c(c1OC)(OC)cc(c(C2=O)c(OC(c(c(O)3)cccc3Cl)=C2OC)1)O | + | SMILES c(c1OC)(OC)cc(c(C2=O)c(OC(c(c(O)3)cccc3Cl)=C2OC)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.6027 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6027 -0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1022 -1.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6018 -0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6018 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1022 0.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1013 -1.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3991 -0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3991 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1013 0.1015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8992 0.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4296 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9599 0.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9599 0.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4296 1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8992 0.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1022 -1.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1013 -1.6314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3693 1.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4296 1.6318 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-0.8522 0.6584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4427 1.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2651 -1.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1312 -1.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9599 0.4313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4598 1.2974 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
3 17 1 0 0 0 0
7 18 2 0 0 0 0
16 19 1 0 0 0 0
15 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
8 23 1 0 0 0 0
23 24 1 0 0 0 0
1 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 25 26
M SBL 3 1 27
M SMT 3 OCH3
M SVB 3 27 -1.9599 0.4313
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 0.542 -0.9716
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 -0.8522 0.6584
S SKP 8
ID FL5FF8NSH001
KNApSAcK_ID C00001026
NAME Chlorflavonin
CAS_RN 23363-64-6
FORMULA C18H15ClO7
EXACTMASS 378.050630544
AVERAGEMASS 378.76019999999994
SMILES c(c1OC)(OC)cc(c(C2=O)c(OC(c(c(O)3)cccc3Cl)=C2OC)1)O
M END
