Mol:FL5FDCGS0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4679 -1.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4679 -1.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4679 -2.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4679 -2.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7535 -2.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7535 -2.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0391 -2.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0391 -2.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0391 -1.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0391 -1.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7535 -1.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7535 -1.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3247 -2.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3247 -2.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3898 -2.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3898 -2.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3898 -1.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3898 -1.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3247 -1.3313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3247 -1.3313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3247 -3.6244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3247 -3.6244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1039 -1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1039 -1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8320 -1.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8320 -1.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5601 -1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5601 -1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5601 -0.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5601 -0.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8320 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8320 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1039 -0.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1039 -0.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1821 -1.3315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1821 -1.3315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7535 -3.8059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7535 -3.8059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1821 0.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1821 0.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8320 0.7703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8320 0.7703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6184 3.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6184 3.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1826 2.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1826 2.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8498 2.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8498 2.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2220 1.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2220 1.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4817 1.9716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4817 1.9716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7720 2.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7720 2.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0544 3.8530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0544 3.8530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1769 3.2298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1769 3.2298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7377 1.3288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7377 1.3288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5019 -3.2109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5019 -3.2109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6141 -3.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6141 -3.8530 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 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 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 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 8 31 1 0 0 0 0 | + | 8 31 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 35 -1.1122 0.6421 | + | M SBV 1 35 -1.1122 0.6421 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FDCGS0006 | + | ID FL5FDCGS0006 |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES c(c1)c(O)c(OC(O4)C(O)C(C(O)C4)O)cc1C(=C3OC)Oc(c2)c(C3=O)c(cc(O)2)O | + | SMILES c(c1)c(O)c(OC(O4)C(O)C(C(O)C4)O)cc1C(=C3OC)Oc(c2)c(C3=O)c(cc(O)2)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-2.4679 -1.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4679 -2.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7535 -2.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0391 -2.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0391 -1.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7535 -1.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3247 -2.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3898 -2.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3898 -1.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3247 -1.3313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3247 -3.6244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1039 -1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8320 -1.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5601 -1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5601 -0.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8320 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1039 -0.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1821 -1.3315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7535 -3.8059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1821 0.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8320 0.7703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6184 3.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1826 2.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8498 2.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2220 1.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4817 1.9716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7720 2.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0544 3.8530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1769 3.2298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7377 1.3288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5019 -3.2109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6141 -3.8530 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
7 11 2 0 0 0 0
9 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
3 19 1 0 0 0 0
20 15 1 0 0 0 0
16 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
21 25 1 0 0 0 0
31 32 1 0 0 0 0
8 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 35
M SMT 1 OCH3
M SBV 1 35 -1.1122 0.6421
S SKP 5
ID FL5FDCGS0006
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES c(c1)c(O)c(OC(O4)C(O)C(C(O)C4)O)cc1C(=C3OC)Oc(c2)c(C3=O)c(cc(O)2)O
M END
