Mol:FL3FAFGS0001
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 |
| − | -1.8966 -0.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8966 -0.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8966 -1.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8966 -1.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1956 -2.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1956 -2.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4945 -1.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4945 -1.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4945 -0.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4945 -0.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1956 -0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1956 -0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2067 -2.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2067 -2.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9076 -1.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9076 -1.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9076 -0.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9076 -0.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2067 -0.4855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2067 -0.4855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2041 -2.8589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2041 -2.8589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6085 -0.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6085 -0.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3229 -0.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3229 -0.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0376 -0.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0376 -0.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0376 0.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0376 0.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3229 0.7519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3229 0.7519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6085 0.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6085 0.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1956 -2.9124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1956 -2.9124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5961 -0.4864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5961 -0.4864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5196 -0.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5196 -0.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5433 -0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5433 -0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8532 0.4492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8532 0.4492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5433 1.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5433 1.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5196 2.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5196 2.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2100 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2100 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1684 2.7923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1684 2.7923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4889 2.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4889 2.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9218 1.5835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9218 1.5835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3019 -0.1080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3019 -0.1080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3183 1.5026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3183 1.5026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9724 2.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9724 2.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7476 0.7711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7476 0.7711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3019 0.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3019 0.7711 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 21 20 1 1 0 0 0 | + | 21 20 1 1 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 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 20 1 1 0 0 0 | + | 25 20 1 1 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 20 29 1 0 0 0 0 | + | 20 29 1 0 0 0 0 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 16 30 1 0 0 0 0 | + | 16 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 0.0047 -0.7507 | + | M SBV 1 34 0.0047 -0.7507 |
| − | 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 -0.7100 -0.4317 | + | M SBV 2 36 -0.7100 -0.4317 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAFGS0001 | + | ID FL3FAFGS0001 |
| − | FORMULA C23H24O10 | + | FORMULA C23H24O10 |
| − | EXACTMASS 460.136946988 | + | EXACTMASS 460.136946988 |
| − | AVERAGEMASS 460.43066 | + | AVERAGEMASS 460.43066 |
| − | SMILES c(c4)(c(OC)cc(c4)C(O3)=CC(c(c23)c(cc(c2)OC(C1O)OC(C(O)C1O)C)O)=O)OC | + | SMILES c(c4)(c(OC)cc(c4)C(O3)=CC(c(c23)c(cc(c2)OC(C1O)OC(C(O)C1O)C)O)=O)OC |
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
-1.8966 -0.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8966 -1.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1956 -2.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4945 -1.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4945 -0.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1956 -0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2067 -2.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9076 -1.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9076 -0.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2067 -0.4855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2041 -2.8589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6085 -0.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3229 -0.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0376 -0.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0376 0.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3229 0.7519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6085 0.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1956 -2.9124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5961 -0.4864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5196 -0.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5433 -0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8532 0.4492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5433 1.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5196 2.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2100 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1684 2.7923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4889 2.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9218 1.5835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3019 -0.1080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3183 1.5026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9724 2.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7476 0.7711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3019 0.7711 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
21 20 1 1 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 20 1 1 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
25 28 1 0 0 0 0
20 29 1 0 0 0 0
21 19 1 0 0 0 0
30 31 1 0 0 0 0
16 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 0.0047 -0.7507
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 -0.7100 -0.4317
S SKP 5
ID FL3FAFGS0001
FORMULA C23H24O10
EXACTMASS 460.136946988
AVERAGEMASS 460.43066
SMILES c(c4)(c(OC)cc(c4)C(O3)=CC(c(c23)c(cc(c2)OC(C1O)OC(C(O)C1O)C)O)=O)OC
M END
