Mol:FL2FEGNS0002
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 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8952 -0.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8952 -0.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3743 -1.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3743 -1.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8534 -0.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8534 -0.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8534 -0.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8534 -0.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3743 0.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3743 0.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8952 -0.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8952 -0.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3325 -1.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3325 -1.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1884 -0.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1884 -0.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1884 -0.1955 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.1884 -0.1955 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.3325 0.1053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3325 0.1053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7088 0.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7088 0.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3325 -1.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3325 -1.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2431 -0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2431 -0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7775 0.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7775 0.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7775 0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7775 0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2431 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2431 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7088 0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7088 0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3743 -1.6985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3743 -1.6985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4155 0.1050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4155 0.1050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2360 1.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2360 1.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9850 1.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9850 1.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3714 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3714 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6096 -0.6849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6096 -0.6849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5975 -0.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5975 -0.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6435 -0.3950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6435 -0.3950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5096 -0.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5096 -0.8950 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 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 16 1 0 0 0 0 | + | 22 16 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 14 25 1 0 0 0 0 | + | 14 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 25 26 | + | M SAL 2 2 25 26 |
| − | M SBL 2 1 28 | + | M SBL 2 1 28 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 28 1.8952 -0.1013 | + | M SVB 2 28 1.8952 -0.1013 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 23 24 | + | M SAL 1 2 23 24 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 26 -2.6096 -0.6849 | + | M SVB 1 26 -2.6096 -0.6849 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FEGNS0002 | + | ID FL2FEGNS0002 |
| − | KNApSAcK_ID C00008490 | + | KNApSAcK_ID C00008490 |
| − | NAME Agamanone | + | NAME Agamanone |
| − | CAS_RN 143381-59-3 | + | CAS_RN 143381-59-3 |
| − | FORMULA C18H16O8 | + | FORMULA C18H16O8 |
| − | EXACTMASS 360.08451748799996 | + | EXACTMASS 360.08451748799996 |
| − | AVERAGEMASS 360.31484 | + | AVERAGEMASS 360.31484 |
| − | SMILES c(c1OC)(O)cc(O2)c(C(=O)CC2c(c4)cc(c(c(OC)4)3)OCO3)c1O | + | SMILES c(c1OC)(O)cc(O2)c(C(=O)CC2c(c4)cc(c(c(OC)4)3)OCO3)c1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-1.8952 -0.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3743 -1.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8534 -0.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8534 -0.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3743 0.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8952 -0.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3325 -1.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1884 -0.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1884 -0.1955 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.3325 0.1053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7088 0.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3325 -1.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2431 -0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7775 0.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7775 0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2431 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7088 0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3743 -1.6985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4155 0.1050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2360 1.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9850 1.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3714 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6096 -0.6849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5975 -0.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6435 -0.3950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5096 -0.8950 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
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
2 18 1 0 0 0 0
6 19 1 0 0 0 0
15 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 16 1 0 0 0 0
1 23 1 0 0 0 0
23 24 1 0 0 0 0
14 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 25 26
M SBL 2 1 28
M SMT 2 OCH3
M SVB 2 28 1.8952 -0.1013
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 26
M SMT 1 OCH3
M SVB 1 26 -2.6096 -0.6849
S SKP 8
ID FL2FEGNS0002
KNApSAcK_ID C00008490
NAME Agamanone
CAS_RN 143381-59-3
FORMULA C18H16O8
EXACTMASS 360.08451748799996
AVERAGEMASS 360.31484
SMILES c(c1OC)(O)cc(O2)c(C(=O)CC2c(c4)cc(c(c(OC)4)3)OCO3)c1O
M END
