Mol:FL63AAGS0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -4.0033 -0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0033 -0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0033 -0.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0033 -0.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2888 -1.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2888 -1.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5744 -0.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5744 -0.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5744 -0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5744 -0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2888 0.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2888 0.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8599 -1.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8599 -1.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1455 -0.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1455 -0.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1455 -0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1455 -0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8599 0.2650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8599 0.2650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4310 0.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4310 0.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2894 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2894 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0097 0.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0097 0.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0097 1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0097 1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2894 1.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2894 1.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4310 1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4310 1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6992 1.4949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6992 1.4949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7176 0.2650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7176 0.2650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4310 -1.3850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4310 -1.3850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2888 -2.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2888 -2.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6705 1.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6705 1.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3006 1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3006 1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0120 1.4935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0120 1.4935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7278 1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7278 1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0977 1.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0977 1.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3863 1.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3863 1.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1413 1.9157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1413 1.9157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7739 2.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7739 2.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7176 1.8151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7176 1.8151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4165 1.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4165 1.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3871 0.0171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3871 0.0171 0.0000 O 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 |
| − | 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 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 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 |
| − | 17 14 1 0 0 0 0 | + | 17 14 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 22 17 1 0 0 0 0 | + | 22 17 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 34 -0.6887 -0.1060 | + | M SBV 1 34 -0.6887 -0.1060 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL63AAGS0008 | + | ID FL63AAGS0008 |
| − | FORMULA C21H24O10 | + | FORMULA C21H24O10 |
| − | EXACTMASS 436.136946988 | + | EXACTMASS 436.136946988 |
| − | AVERAGEMASS 436.40926 | + | AVERAGEMASS 436.40926 |
| − | SMILES c(c(O)4)c(c(c(c4)3)CC(C(O3)c(c1)ccc(OC(O2)C(O)C(O)C(O)C2CO)c1)O)O | + | SMILES c(c(O)4)c(c(c(c4)3)CC(C(O3)c(c1)ccc(OC(O2)C(O)C(O)C(O)C2CO)c1)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-4.0033 -0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0033 -0.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2888 -1.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5744 -0.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5744 -0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2888 0.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8599 -1.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1455 -0.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1455 -0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8599 0.2650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4310 0.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2894 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0097 0.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0097 1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2894 1.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4310 1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6992 1.4949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7176 0.2650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4310 -1.3850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2888 -2.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6705 1.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3006 1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0120 1.4935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7278 1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0977 1.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3863 1.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1413 1.9157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7739 2.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7176 1.8151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4165 1.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3871 0.0171 0.0000 O 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
4 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 5 1 0 0 0 0
9 11 1 6 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
17 14 1 0 0 0 0
1 18 1 0 0 0 0
8 19 1 1 0 0 0
3 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
24 23 1 1 0 0 0
22 17 1 0 0 0 0
30 31 1 0 0 0 0
24 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 34
M SMT 1 CH2OH
M SBV 1 34 -0.6887 -0.1060
S SKP 5
ID FL63AAGS0008
FORMULA C21H24O10
EXACTMASS 436.136946988
AVERAGEMASS 436.40926
SMILES c(c(O)4)c(c(c(c4)3)CC(C(O3)c(c1)ccc(OC(O2)C(O)C(O)C(O)C2CO)c1)O)O
M END
