Mol:FL6FA9GS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.4171 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4171 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4171 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4171 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2975 -1.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2975 -1.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0120 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0120 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0120 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0120 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2975 0.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2975 0.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7265 -1.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7265 -1.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4410 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4410 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4410 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4410 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7265 0.6065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7265 0.6065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1555 0.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1555 0.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8759 0.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8759 0.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5964 0.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5964 0.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5964 1.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5964 1.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8759 1.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8759 1.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1555 1.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1555 1.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1316 0.6065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1316 0.6065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2941 -1.8544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2941 -1.8544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8031 0.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8031 0.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2911 -0.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2911 -0.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5538 0.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5538 0.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8425 0.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8425 0.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3595 0.7729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3595 0.7729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0045 0.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0045 0.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3456 0.3711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3456 0.3711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8611 -0.0994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8611 -0.0994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8413 -0.1943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8413 -0.1943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4972 0.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4972 0.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5964 1.2752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5964 1.2752 0.0000 O 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 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 0 0 0 0 | + | 9 11 1 0 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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 18 3 1 0 0 0 0 | + | 18 3 1 0 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 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 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 17 1 0 0 0 0 | + | 22 17 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 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 28 29 | + | M SAL 1 2 28 29 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 32 0.4927 -0.5482 | + | M SBV 1 32 0.4927 -0.5482 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL6FA9GS0001 | + | ID FL6FA9GS0001 |
| − | FORMULA C21H24O8 | + | FORMULA C21H24O8 |
| − | EXACTMASS 404.14711774399996 | + | EXACTMASS 404.14711774399996 |
| − | AVERAGEMASS 404.41046 | + | AVERAGEMASS 404.41046 |
| − | SMILES C(O1)(Oc(c4)cc(c3c4O)OC(CC3)c(c2)cccc2)C(O)C(O)C(O)C1CO | + | SMILES C(O1)(Oc(c4)cc(c3c4O)OC(CC3)c(c2)cccc2)C(O)C(O)C(O)C1CO |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
-0.4171 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4171 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2975 -1.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0120 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0120 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2975 0.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7265 -1.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4410 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4410 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7265 0.6065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1555 0.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8759 0.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5964 0.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5964 1.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8759 1.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1555 1.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1316 0.6065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2941 -1.8544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8031 0.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2911 -0.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5538 0.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8425 0.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3595 0.7729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0045 0.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3456 0.3711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8611 -0.0994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8413 -0.1943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4972 0.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5964 1.2752 0.0000 O 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 2 0 0 0 0
6 1 1 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 0 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
1 17 1 0 0 0 0
18 3 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 17 1 0 0 0 0
28 29 1 0 0 0 0
24 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 28 29
M SBL 1 1 32
M SMT 1 ^CH2OH
M SBV 1 32 0.4927 -0.5482
S SKP 5
ID FL6FA9GS0001
FORMULA C21H24O8
EXACTMASS 404.14711774399996
AVERAGEMASS 404.41046
SMILES C(O1)(Oc(c4)cc(c3c4O)OC(CC3)c(c2)cccc2)C(O)C(O)C(O)C1CO
M END
