Mol:FL63ACGCN001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 38 42 0 0 0 0 0 0 0 0999 V2000 | + | 38 42 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.1183 0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1183 0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1183 -0.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1183 -0.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4039 -0.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4039 -0.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6894 -0.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6894 -0.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6894 0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6894 0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4039 0.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4039 0.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9748 -0.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9748 -0.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2604 -0.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2604 -0.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2604 0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2604 0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9748 0.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9748 0.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4537 0.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4537 0.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1819 0.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1819 0.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9101 0.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9101 0.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9101 1.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9101 1.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1819 1.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1819 1.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4537 1.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4537 1.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6381 1.9426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6381 1.9426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4039 -1.7929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4039 -1.7929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4537 -0.9681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4537 -0.9681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8325 0.6816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8325 0.6816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6381 0.2612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6381 0.2612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7602 -0.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7602 -0.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0911 -1.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0911 -1.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8406 -1.5525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8406 -1.5525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3817 -2.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3817 -2.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0510 -1.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0510 -1.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3014 -1.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3014 -1.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0427 -0.7864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0427 -0.7864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8315 -2.3502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8315 -2.3502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4799 -1.9715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4799 -1.9715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4039 1.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4039 1.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7353 2.0102 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7353 2.0102 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0078 2.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0078 2.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8447 2.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8447 2.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0895 1.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0895 1.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6383 3.2745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6383 3.2745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3027 -2.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3027 -2.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8325 -3.2745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8325 -3.2745 0.0000 O 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 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 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 8 19 1 6 0 0 0 | + | 8 19 1 6 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 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 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 23 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 6 31 1 0 0 0 0 | + | 6 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 31 1 0 0 0 0 | + | 35 31 1 0 0 0 0 |
| − | 33 36 2 0 0 0 0 | + | 33 36 2 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 25 37 1 0 0 0 0 | + | 25 37 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 37 38 | + | M SAL 1 2 37 38 |
| − | M SBL 1 1 42 | + | M SBL 1 1 42 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 42 -0.9210 0.2468 | + | M SBV 1 42 -0.9210 0.2468 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL63ACGCN001 | + | ID FL63ACGCN001 |
| − | FORMULA C25H29NO12 | + | FORMULA C25H29NO12 |
| − | EXACTMASS 535.1689753969999 | + | EXACTMASS 535.1689753969999 |
| − | AVERAGEMASS 535.4973 | + | AVERAGEMASS 535.4973 |
| − | SMILES c(c(O)5)(c(O2)c(c(c5)O)CC(OC(C4O)OC(C(O)C4O)CO)C(c(c3)cc(c(c3)O)O)2)C(N1)CCC(=O)1 | + | SMILES c(c(O)5)(c(O2)c(c(c5)O)CC(OC(C4O)OC(C(O)C4O)CO)C(c(c3)cc(c(c3)O)O)2)C(N1)CCC(=O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
38 42 0 0 0 0 0 0 0 0999 V2000
-3.1183 0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1183 -0.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4039 -0.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6894 -0.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6894 0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4039 0.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9748 -0.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2604 -0.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2604 0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9748 0.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4537 0.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1819 0.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9101 0.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9101 1.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1819 1.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4537 1.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6381 1.9426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4039 -1.7929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4537 -0.9681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8325 0.6816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6381 0.2612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7602 -0.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0911 -1.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8406 -1.5525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3817 -2.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0510 -1.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3014 -1.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0427 -0.7864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8315 -2.3502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4799 -1.9715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4039 1.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7353 2.0102 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0078 2.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8447 2.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0895 1.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6383 3.2745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3027 -2.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8325 -3.2745 0.0000 O 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 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
14 17 1 0 0 0 0
3 18 1 0 0 0 0
8 19 1 6 0 0 0
1 20 1 0 0 0 0
13 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 19 1 0 0 0 0
25 24 1 1 0 0 0
6 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 31 1 0 0 0 0
33 36 2 0 0 0 0
37 38 1 0 0 0 0
25 37 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 37 38
M SBL 1 1 42
M SMT 1 CH2OH
M SBV 1 42 -0.9210 0.2468
S SKP 5
ID FL63ACGCN001
FORMULA C25H29NO12
EXACTMASS 535.1689753969999
AVERAGEMASS 535.4973
SMILES c(c(O)5)(c(O2)c(c(c5)O)CC(OC(C4O)OC(C(O)C4O)CO)C(c(c3)cc(c(c3)O)O)2)C(N1)CCC(=O)1
M END
