Mol:FL4DCBGS0002
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 |
| − | -1.2473 0.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2473 0.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7264 -0.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7264 -0.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2055 0.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2055 0.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2055 0.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2055 0.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7264 1.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7264 1.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2473 0.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2473 0.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3154 -0.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3154 -0.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8363 0.1398 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.8363 0.1398 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.8363 0.7413 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.8363 0.7413 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 0.3154 1.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3154 1.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3154 -0.6848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3154 -0.6848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4160 1.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4160 1.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9447 0.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9447 0.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4734 1.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4734 1.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4734 1.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4734 1.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9447 1.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9447 1.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4160 1.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4160 1.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3045 -0.4369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3045 -0.4369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7264 -0.7618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7264 -0.7618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3414 -1.4692 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.3414 -1.4692 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.6757 -1.9565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.6757 -1.9565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.0298 -1.4431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.0298 -1.4431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.2126 -1.3305 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.2126 -1.3305 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.8783 -0.8432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8783 -0.8432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5242 -1.3565 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.5242 -1.3565 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.7728 -1.4314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7728 -1.4314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2743 -1.9565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2743 -1.9565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7776 -1.8800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7776 -1.8800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5928 1.3803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5928 1.3803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0684 2.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0684 2.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9226 -0.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9226 -0.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9203 -0.4755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9203 -0.4755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0021 1.9565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0021 1.9565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7166 1.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7166 1.5440 0.0000 C 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 6 0 0 0 | + | 9 12 1 6 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 |
| − | 8 18 1 1 0 0 0 | + | 8 18 1 1 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 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 |
| − | 19 23 1 0 0 0 0 | + | 19 23 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 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 6 29 1 0 0 0 0 | + | 6 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 15 33 1 0 0 0 0 | + | 15 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 31 32 | + | M SAL 3 2 31 32 |
| − | M SBL 3 1 34 | + | M SBL 3 1 34 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 34 -2.9226 -0.5434 | + | M SVB 3 34 -2.9226 -0.5434 |
| − | 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 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 36 3.0021 1.9565 | + | M SVB 2 36 3.0021 1.9565 |
| − | 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 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 32 -1.5928 1.3803 | + | M SVB 1 32 -1.5928 1.3803 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DCBGS0002 | + | ID FL4DCBGS0002 |
| − | KNApSAcK_ID C00008685 | + | KNApSAcK_ID C00008685 |
| − | NAME Aromadendrin 7,4'-dimethyl ether 5-glucoside | + | NAME Aromadendrin 7,4'-dimethyl ether 5-glucoside |
| − | CAS_RN 41515-77-9 | + | CAS_RN 41515-77-9 |
| − | FORMULA C23H26O11 | + | FORMULA C23H26O11 |
| − | EXACTMASS 478.147511674 | + | EXACTMASS 478.147511674 |
| − | AVERAGEMASS 478.44594 | + | AVERAGEMASS 478.44594 |
| − | SMILES O(C)c(c4)ccc(c4)[C@H]([C@H]3O)Oc(c1)c(C3=O)c(O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)cc1OC | + | SMILES O(C)c(c4)ccc(c4)[C@H]([C@H]3O)Oc(c1)c(C3=O)c(O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)cc1OC |
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
-1.2473 0.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7264 -0.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2055 0.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2055 0.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7264 1.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2473 0.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3154 -0.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8363 0.1398 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.8363 0.7413 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.3154 1.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3154 -0.6848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4160 1.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9447 0.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4734 1.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4734 1.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9447 1.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4160 1.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3045 -0.4369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7264 -0.7618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3414 -1.4692 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6757 -1.9565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0298 -1.4431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.2126 -1.3305 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8783 -0.8432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5242 -1.3565 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.7728 -1.4314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2743 -1.9565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7776 -1.8800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5928 1.3803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0684 2.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9226 -0.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9203 -0.4755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0021 1.9565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7166 1.5440 0.0000 C 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
3 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 4 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 6 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
8 18 1 1 0 0 0
2 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
19 23 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
6 29 1 0 0 0 0
29 30 1 0 0 0 0
25 31 1 0 0 0 0
31 32 1 0 0 0 0
15 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 31 32
M SBL 3 1 34
M SMT 3 CH2OH
M SVB 3 34 -2.9226 -0.5434
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 36
M SMT 2 OCH3
M SVB 2 36 3.0021 1.9565
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 OCH3
M SVB 1 32 -1.5928 1.3803
S SKP 8
ID FL4DCBGS0002
KNApSAcK_ID C00008685
NAME Aromadendrin 7,4'-dimethyl ether 5-glucoside
CAS_RN 41515-77-9
FORMULA C23H26O11
EXACTMASS 478.147511674
AVERAGEMASS 478.44594
SMILES O(C)c(c4)ccc(c4)[C@H]([C@H]3O)Oc(c1)c(C3=O)c(O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)cc1OC
M END
