Mol:FL7DAAGO0004
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 |
| − | -0.4322 1.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4322 1.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4322 0.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4322 0.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2823 -0.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2823 -0.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9967 0.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9967 0.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9967 1.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9967 1.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2823 1.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2823 1.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7112 -0.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7112 -0.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4257 0.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4257 0.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4257 1.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4257 1.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7112 1.5342 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | 1.7112 1.5342 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1399 1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1399 1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8681 1.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8681 1.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5963 1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5963 1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5963 2.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5963 2.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8681 2.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8681 2.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1399 2.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1399 2.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3242 2.7952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3242 2.7952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2784 -0.8569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2784 -0.8569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9480 -1.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9480 -1.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4134 -2.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4134 -2.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6206 -2.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6206 -2.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0336 -1.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0336 -1.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0416 -1.1044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0416 -1.1044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4134 -1.5783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4134 -1.5783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6206 -2.6719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6206 -2.6719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9491 -2.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9491 -2.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6091 -2.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6091 -2.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3309 -2.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3309 -2.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9486 -2.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9486 -2.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3309 -1.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3309 -1.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9322 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9322 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9322 -0.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9322 -0.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2358 -0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2358 -0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2358 0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2358 0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9322 1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9322 1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6284 0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6284 0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6284 -0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6284 -0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9322 1.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9322 1.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3242 1.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3242 1.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1464 1.5340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1464 1.5340 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 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 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 26 19 1 0 0 0 0 | + | 26 19 1 0 0 0 0 |
| − | 22 18 1 0 0 0 0 | + | 22 18 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
| − | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
| − | 35 38 1 0 0 0 0 | + | 35 38 1 0 0 0 0 |
| − | 36 39 1 0 0 0 0 | + | 36 39 1 0 0 0 0 |
| − | 1 40 1 0 0 0 0 | + | 1 40 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7DAAGS0004 | + | ID FL7DAAGS0004 |
| − | FORMULA C29H25O11 | + | FORMULA C29H25O11 |
| − | EXACTMASS 549.139686642 | + | EXACTMASS 549.139686642 |
| − | AVERAGEMASS 549.5022 | + | AVERAGEMASS 549.5022 |
| − | SMILES c(c1)([o+1]4)c(ccc4c(c5)ccc(c5)O)c(OC(O2)C(O)C(O)C(COC(C=Cc(c3)ccc(c(O)3)O)=O)2)cc1O | + | SMILES c(c1)([o+1]4)c(ccc4c(c5)ccc(c5)O)c(OC(O2)C(O)C(O)C(COC(C=Cc(c3)ccc(c(O)3)O)=O)2)cc1O |
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
-0.4322 1.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4322 0.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2823 -0.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9967 0.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9967 1.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2823 1.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7112 -0.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4257 0.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4257 1.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7112 1.5342 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
3.1399 1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8681 1.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5963 1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5963 2.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8681 2.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1399 2.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3242 2.7952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2784 -0.8569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9480 -1.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4134 -2.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6206 -2.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0336 -1.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0416 -1.1044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4134 -1.5783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6206 -2.6719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9491 -2.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6091 -2.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3309 -2.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9486 -2.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3309 -1.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9322 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9322 -0.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2358 -0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2358 0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9322 1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6284 0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6284 -0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9322 1.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3242 1.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1464 1.5340 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
3 18 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 19 1 0 0 0 0
20 24 1 0 0 0 0
21 25 1 0 0 0 0
26 19 1 0 0 0 0
22 18 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
28 30 1 0 0 0 0
30 31 2 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 32 1 0 0 0 0
35 38 1 0 0 0 0
36 39 1 0 0 0 0
1 40 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7DAAGS0004
FORMULA C29H25O11
EXACTMASS 549.139686642
AVERAGEMASS 549.5022
SMILES c(c1)([o+1]4)c(ccc4c(c5)ccc(c5)O)c(OC(O2)C(O)C(O)C(COC(C=Cc(c3)ccc(c(O)3)O)=O)2)cc1O
M END
