Mol:FL5FBCGL0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4669 -4.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4669 -4.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8464 -4.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8464 -4.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3922 -4.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3922 -4.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5585 -3.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5585 -3.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1790 -3.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1790 -3.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6332 -3.9262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6332 -3.9262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1042 -3.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1042 -3.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2705 -2.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2705 -2.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8910 -2.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8910 -2.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3453 -2.8515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3453 -2.8515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3794 -3.3136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3794 -3.3136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0572 -1.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0572 -1.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5943 -1.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5943 -1.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7637 -0.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7637 -0.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3960 -0.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3960 -0.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8590 -0.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8590 -0.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6895 -1.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6895 -1.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9209 -5.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9209 -5.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4287 -2.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4287 -2.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1606 -0.8198 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.1606 -0.8198 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.7729 -1.4912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.7729 -1.4912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.5184 -1.2781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5184 -1.2781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2683 -1.4912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.2683 -1.4912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.6561 -0.8198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.6561 -0.8198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.9106 -1.0328 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.9106 -1.0328 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.4335 -1.0146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4335 -1.0146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1794 -0.5671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1794 -0.5671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3143 -0.9961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3143 -0.9961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5655 0.1199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5655 0.1199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4912 -0.8058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4912 -0.8058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3501 -4.7218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3501 -4.7218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2332 -4.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2332 -4.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8517 -1.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8517 -1.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8376 -2.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8376 -2.8390 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 19 8 1 0 0 0 0 | + | 19 8 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 16 30 1 0 0 0 0 | + | 16 30 1 0 0 0 0 |
| − | 3 31 1 0 0 0 0 | + | 3 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 23 33 1 0 0 0 0 | + | 23 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 33 34 | + | M SAL 2 2 33 34 |
| − | M SBL 2 1 36 | + | M SBL 2 1 36 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 36 2.8517 -1.8391 | + | M SVB 2 36 2.8517 -1.8391 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 34 -2.6383 -1.2426 | + | M SVB 1 34 -2.6383 -1.2426 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FBCGL0001 | + | ID FL5FBCGL0001 |
| − | KNApSAcK_ID C00005499 | + | KNApSAcK_ID C00005499 |
| − | NAME Azaleatin 3-glucoside | + | NAME Azaleatin 3-glucoside |
| − | CAS_RN 23598-17-6 | + | CAS_RN 23598-17-6 |
| − | FORMULA C22H22O12 | + | FORMULA C22H22O12 |
| − | EXACTMASS 478.111126168 | + | EXACTMASS 478.111126168 |
| − | AVERAGEMASS 478.40288000000004 | + | AVERAGEMASS 478.40288000000004 |
| − | SMILES c(c(C(O3)=C(C(=O)c(c(OC)4)c3cc(c4)O)O[C@H](O2)C(O)C([C@H]([C@@H](CO)2)O)O)1)cc(c(c1)O)O | + | SMILES c(c(C(O3)=C(C(=O)c(c(OC)4)c3cc(c4)O)O[C@H](O2)C(O)C([C@H]([C@@H](CO)2)O)O)1)cc(c(c1)O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-1.4669 -4.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8464 -4.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3922 -4.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5585 -3.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1790 -3.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6332 -3.9262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1042 -3.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2705 -2.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8910 -2.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3453 -2.8515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3794 -3.3136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0572 -1.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5943 -1.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7637 -0.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3960 -0.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8590 -0.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6895 -1.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9209 -5.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4287 -2.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1606 -0.8198 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.7729 -1.4912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5184 -1.2781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2683 -1.4912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.6561 -0.8198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9106 -1.0328 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.4335 -1.0146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1794 -0.5671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3143 -0.9961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5655 0.1199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4912 -0.8058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3501 -4.7218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2332 -4.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8517 -1.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8376 -2.8390 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
1 18 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
23 22 1 1 0 0 0
15 29 1 0 0 0 0
16 30 1 0 0 0 0
3 31 1 0 0 0 0
31 32 1 0 0 0 0
23 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 36
M SMT 2 CH2OH
M SVB 2 36 2.8517 -1.8391
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SVB 1 34 -2.6383 -1.2426
S SKP 8
ID FL5FBCGL0001
KNApSAcK_ID C00005499
NAME Azaleatin 3-glucoside
CAS_RN 23598-17-6
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES c(c(C(O3)=C(C(=O)c(c(OC)4)c3cc(c4)O)O[C@H](O2)C(O)C([C@H]([C@@H](CO)2)O)O)1)cc(c(c1)O)O
M END
