Mol:FLIAEAGS0009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9905 0.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9905 0.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2756 0.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2756 0.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5610 0.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5610 0.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5610 -0.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5610 -0.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1801 -0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1801 -0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9213 -0.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9213 -0.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9213 0.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9213 0.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1801 0.9421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1801 0.9421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9905 -0.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9905 -0.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2756 -0.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2756 -0.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1801 -1.6247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1801 -1.6247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6618 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6618 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6618 -1.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6618 -1.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3704 -1.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3704 -1.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0789 -1.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0789 -1.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0789 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0789 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3704 -0.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3704 -0.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7089 0.9214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7089 0.9214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1254 0.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1254 0.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3579 0.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3579 0.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8154 1.0960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8154 1.0960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8722 1.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8722 1.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6397 2.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6397 2.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1821 1.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1821 1.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4570 2.7161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4570 2.7161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9872 2.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9872 2.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0337 1.5941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0337 1.5941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7312 0.3636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7312 0.3636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2891 -1.5486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2891 -1.5486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7138 -0.7285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7138 -0.7285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7135 -1.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7135 -1.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9208 -2.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9208 -2.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0337 -2.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0337 -2.7161 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 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 3 1 0 0 0 0 | + | 8 3 1 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 5 11 2 0 0 0 0 | + | 5 11 2 0 0 0 0 |
| − | 6 12 1 0 0 0 0 | + | 6 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 20 19 1 1 0 0 0 | + | 20 19 1 1 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 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 19 1 1 0 0 0 | + | 24 19 1 1 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | 19 28 1 0 0 0 0 | + | 19 28 1 0 0 0 0 |
| − | 20 18 1 0 0 0 0 | + | 20 18 1 0 0 0 0 |
| − | 10 29 1 0 0 0 0 | + | 10 29 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 9 30 1 0 0 0 0 | + | 9 30 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 15 32 1 0 0 0 0 | + | 15 32 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 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 34 0.7232 0.4176 | + | M SBV 1 34 0.7232 0.4176 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 36 | + | M SBL 2 1 36 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 36 -0.8420 0.4861 | + | M SBV 2 36 -0.8420 0.4861 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FLIAEAGS0009 | + | ID FLIAEAGS0009 |
| − | FORMULA C23H24O10 | + | FORMULA C23H24O10 |
| − | EXACTMASS 460.136946988 | + | EXACTMASS 460.136946988 |
| − | AVERAGEMASS 460.43066 | + | AVERAGEMASS 460.43066 |
| − | SMILES COc(c3OC(O4)C(C(C(O)C4C)O)O)c(c(C1=O)c(c3)OC=C1c(c2)ccc(c2)OC)O | + | SMILES COc(c3OC(O4)C(C(C(O)C4C)O)O)c(c(C1=O)c(c3)OC=C1c(c2)ccc(c2)OC)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-1.9905 0.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2756 0.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5610 0.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5610 -0.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1801 -0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9213 -0.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9213 0.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1801 0.9421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9905 -0.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2756 -0.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1801 -1.6247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6618 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6618 -1.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3704 -1.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0789 -1.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0789 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3704 -0.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7089 0.9214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1254 0.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3579 0.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8154 1.0960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8722 1.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6397 2.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1821 1.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4570 2.7161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9872 2.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0337 1.5941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7312 0.3636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2891 -1.5486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7138 -0.7285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7135 -1.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9208 -2.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0337 -2.7161 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 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 3 1 0 0 0 0
1 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
5 11 2 0 0 0 0
6 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
1 18 1 0 0 0 0
20 19 1 1 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 19 1 1 0 0 0
23 25 1 0 0 0 0
22 26 1 0 0 0 0
24 27 1 0 0 0 0
19 28 1 0 0 0 0
20 18 1 0 0 0 0
10 29 1 0 0 0 0
30 31 1 0 0 0 0
9 30 1 0 0 0 0
32 33 1 0 0 0 0
15 32 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 ^ OCH3
M SBV 1 34 0.7232 0.4176
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 36
M SMT 2 OCH3
M SBV 2 36 -0.8420 0.4861
S SKP 5
ID FLIAEAGS0009
FORMULA C23H24O10
EXACTMASS 460.136946988
AVERAGEMASS 460.43066
SMILES COc(c3OC(O4)C(C(C(O)C4C)O)O)c(c(C1=O)c(c3)OC=C1c(c2)ccc(c2)OC)O
M END
