Mol:FL7AAAGL0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 40 44 0 0 0 0 0 0 0 0999 V2000 | + | 40 44 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.5805 1.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5805 1.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5805 0.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5805 0.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8795 0.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8795 0.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1785 0.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1785 0.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1785 1.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1785 1.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8795 1.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8795 1.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4775 0.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4775 0.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7765 0.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7765 0.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7765 1.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7765 1.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4775 1.9483 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -1.4775 1.9483 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0758 1.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0758 1.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6387 1.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6387 1.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3532 1.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3532 1.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3532 2.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3532 2.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6387 3.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6387 3.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0758 2.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0758 2.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0675 3.1855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0675 3.1855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2813 1.9482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2813 1.9482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8795 -0.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8795 -0.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2427 0.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2427 0.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2528 -0.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2528 -0.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5932 -0.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5932 -0.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3248 -1.1689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3248 -1.1689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5932 -2.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5932 -2.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2528 -2.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2528 -2.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0156 -1.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0156 -1.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1335 0.0242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1335 0.0242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5733 -2.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5733 -2.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1540 -3.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1540 -3.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1539 0.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1539 0.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8036 -0.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8036 -0.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7392 -0.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7392 -0.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6421 -0.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6421 -0.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9860 0.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9860 0.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1675 0.1212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1675 0.1212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0822 -0.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0822 -0.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3605 -0.5410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3605 -0.5410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2813 0.3434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2813 0.3434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6493 -2.8517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6493 -2.8517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3844 -2.1165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3844 -2.1165 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 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 |
| − | 14 17 1 0 0 0 0 | + | 14 17 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 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 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 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 31 36 1 0 0 0 0 | + | 31 36 1 0 0 0 0 |
| − | 32 37 1 0 0 0 0 | + | 32 37 1 0 0 0 0 |
| − | 30 27 1 0 0 0 0 | + | 30 27 1 0 0 0 0 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 24 39 1 0 0 0 0 | + | 24 39 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 39 40 | + | M SAL 1 2 39 40 |
| − | M SBL 1 1 44 | + | M SBL 1 1 44 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 44 0.0560 0.7378 | + | M SBV 1 44 0.0560 0.7378 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAAGL0003 | + | ID FL7AAAGL0003 |
| − | FORMULA C26H29O14 | + | FORMULA C26H29O14 |
| − | EXACTMASS 565.155730636 | + | EXACTMASS 565.155730636 |
| − | AVERAGEMASS 565.50006 | + | AVERAGEMASS 565.50006 |
| − | SMILES c(O)(c1)ccc(c([o+1]3)c(OC(C(OC(C5O)OCC(C5O)O)4)OC(C(O)C4O)CO)cc(c32)c(cc(O)c2)O)c1 | + | SMILES c(O)(c1)ccc(c([o+1]3)c(OC(C(OC(C5O)OCC(C5O)O)4)OC(C(O)C4O)CO)cc(c32)c(cc(O)c2)O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
-3.5805 1.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5805 0.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8795 0.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1785 0.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1785 1.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8795 1.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4775 0.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7765 0.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7765 1.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4775 1.9483 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
-0.0758 1.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6387 1.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3532 1.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3532 2.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6387 3.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0758 2.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0675 3.1855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2813 1.9482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8795 -0.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2427 0.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2528 -0.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5932 -0.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3248 -1.1689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5932 -2.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2528 -2.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0156 -1.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1335 0.0242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5733 -2.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1540 -3.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1539 0.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8036 -0.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7392 -0.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6421 -0.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9860 0.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1675 0.1212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0822 -0.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3605 -0.5410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2813 0.3434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6493 -2.8517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3844 -2.1165 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 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
14 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
21 22 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 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 20 1 0 0 0 0
8 20 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
31 36 1 0 0 0 0
32 37 1 0 0 0 0
30 27 1 0 0 0 0
33 38 1 0 0 0 0
39 40 1 0 0 0 0
24 39 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 44
M SMT 1 ^CH2OH
M SBV 1 44 0.0560 0.7378
S SKP 5
ID FL7AAAGL0003
FORMULA C26H29O14
EXACTMASS 565.155730636
AVERAGEMASS 565.50006
SMILES c(O)(c1)ccc(c([o+1]3)c(OC(C(OC(C5O)OCC(C5O)O)4)OC(C(O)C4O)CO)cc(c32)c(cc(O)c2)O)c1
M END
