Mol:FL5FCCGS0001
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 |
| − | -2.9749 0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9749 0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9749 -0.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9749 -0.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2605 -1.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2605 -1.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5460 -0.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5460 -0.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5460 0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5460 0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2605 0.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2605 0.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8316 -1.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8316 -1.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1171 -0.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1171 -0.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1171 0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1171 0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8316 0.5265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8316 0.5265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8316 -1.8815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8316 -1.8815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5971 0.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5971 0.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3253 0.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3253 0.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0535 0.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0535 0.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0535 1.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0535 1.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3253 1.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3253 1.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5971 1.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5971 1.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2605 -1.8606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2605 -1.8606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7303 1.7580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7303 1.7580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6931 -1.1996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6931 -1.1996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3253 2.4718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3253 2.4718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6319 -1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6319 -1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8481 -1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8481 -1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2500 -1.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2500 -1.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2246 -2.2871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2246 -2.2871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2506 -1.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2506 -1.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8481 -1.6950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8481 -1.6950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6319 -0.6184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6319 -0.6184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6449 0.5008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6449 0.5008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2869 1.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2869 1.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2506 -2.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2506 -2.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2869 -2.4718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2869 -2.4718 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 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 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 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 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 22 1 0 0 0 0 | + | 26 22 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 24 20 1 0 0 0 0 | + | 24 20 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 1 29 1 0 0 0 0 | + | 1 29 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 26 31 1 0 0 0 0 | + | 26 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 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 33 0.6699 -0.3868 | + | M SBV 1 33 0.6699 -0.3868 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 31 32 | + | M SAL 2 2 31 32 |
| − | M SBL 2 1 35 | + | M SBL 2 1 35 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SBV 2 35 0.0000 0.5981 | + | M SBV 2 35 0.0000 0.5981 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FCCGS0001 | + | ID FL5FCCGS0001 |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(OC)4)O)c(c2)cc(c(O)c2)O)C(C(O)1)OC(CO)C1O | + | SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(OC)4)O)c(c2)cc(c(O)c2)O)C(C(O)1)OC(CO)C1O |
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
-2.9749 0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9749 -0.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2605 -1.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5460 -0.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5460 0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2605 0.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8316 -1.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1171 -0.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1171 0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8316 0.5265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8316 -1.8815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5971 0.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3253 0.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0535 0.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0535 1.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3253 1.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5971 1.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2605 -1.8606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7303 1.7580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6931 -1.1996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3253 2.4718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6319 -1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8481 -1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2500 -1.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2246 -2.2871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2506 -1.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8481 -1.6950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6319 -0.6184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6449 0.5008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2869 1.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2506 -2.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2869 -2.4718 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 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
19 15 1 0 0 0 0
8 20 1 0 0 0 0
16 21 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
26 25 1 1 0 0 0
26 22 1 0 0 0 0
23 27 1 0 0 0 0
22 28 1 0 0 0 0
24 20 1 0 0 0 0
29 30 1 0 0 0 0
1 29 1 0 0 0 0
31 32 1 0 0 0 0
26 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 33
M SMT 1 ^ OCH3
M SBV 1 33 0.6699 -0.3868
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 35
M SMT 2 CH2OH
M SBV 2 35 0.0000 0.5981
S SKP 5
ID FL5FCCGS0001
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(OC)4)O)c(c2)cc(c(O)c2)O)C(C(O)1)OC(CO)C1O
M END
