Mol:FL4DAGGS0003
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 |
| − | -3.5823 -0.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5823 -0.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0614 -1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0614 -1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5405 -0.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5405 -0.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5405 -0.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5405 -0.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0614 0.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0614 0.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5823 -0.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5823 -0.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0196 -1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0196 -1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4987 -0.7628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.4987 -0.7628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.4987 -0.1613 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -1.4987 -0.1613 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.0196 0.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0196 0.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0196 -1.5874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0196 -1.5874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9190 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9190 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3903 -0.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3903 -0.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1384 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1384 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1384 0.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1384 0.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3903 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3903 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9190 0.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9190 0.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0330 0.1259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0330 0.1259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0305 -1.3395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0305 -1.3395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6671 1.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6671 1.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0614 -1.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0614 -1.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7163 0.3200 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.7163 0.3200 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.4155 -0.2010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.4155 -0.2010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.9940 -0.0357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9940 -0.0357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5760 -0.2010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.5760 -0.2010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.8769 0.3200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.8769 0.3200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.2983 0.1547 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.2983 0.1547 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.1576 0.1703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1576 0.1703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3398 0.6293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3398 0.6293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8188 0.6558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8188 0.6558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6648 -0.1658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6648 -0.1658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3903 1.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3903 1.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4312 -0.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4312 -0.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4099 -1.7191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4099 -1.7191 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 |
| − | 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 14 31 1 0 0 0 0 | + | 14 31 1 0 0 0 0 |
| − | 31 23 1 0 0 0 0 | + | 31 23 1 0 0 0 0 |
| − | 16 32 1 0 0 0 0 | + | 16 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 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 33 34 | + | M SAL 1 2 33 34 |
| − | M SBL 1 1 36 | + | M SBL 1 1 36 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SVB 1 36 3.3185 -0.1126 | + | M SVB 1 36 3.3185 -0.1126 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DAGGS0003 | + | ID FL4DAGGS0003 |
| − | KNApSAcK_ID C00008724 | + | KNApSAcK_ID C00008724 |
| − | NAME Ampelopsin 3'-glucoside | + | NAME Ampelopsin 3'-glucoside |
| − | CAS_RN 82181-87-1 | + | CAS_RN 82181-87-1 |
| − | FORMULA C21H22O13 | + | FORMULA C21H22O13 |
| − | EXACTMASS 482.10604078999995 | + | EXACTMASS 482.10604078999995 |
| − | AVERAGEMASS 482.39158 | + | AVERAGEMASS 482.39158 |
| − | SMILES c(c(O)4)c(O)c(C3=O)c(c4)O[C@@H]([C@H]3O)c(c1)cc(O[C@H](O2)C(O)C(O)[C@@H](O)[C@H]2CO)c(O)c(O)1 | + | SMILES c(c(O)4)c(O)c(C3=O)c(c4)O[C@@H]([C@H]3O)c(c1)cc(O[C@H](O2)C(O)C(O)[C@@H](O)[C@H]2CO)c(O)c(O)1 |
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
-3.5823 -0.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0614 -1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5405 -0.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5405 -0.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0614 0.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5823 -0.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0196 -1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4987 -0.7628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4987 -0.1613 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.0196 0.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0196 -1.5874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9190 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3903 -0.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1384 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1384 0.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3903 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9190 0.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0330 0.1259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0305 -1.3395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6671 1.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0614 -1.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7163 0.3200 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.4155 -0.2010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9940 -0.0357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5760 -0.2010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8769 0.3200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.2983 0.1547 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.1576 0.1703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3398 0.6293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8188 0.6558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6648 -0.1658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3903 1.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4312 -0.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4099 -1.7191 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
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
6 18 1 0 0 0 0
8 19 1 1 0 0 0
15 20 1 0 0 0 0
2 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
14 31 1 0 0 0 0
31 23 1 0 0 0 0
16 32 1 0 0 0 0
25 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 36
M SMT 1 CH2OH
M SVB 1 36 3.3185 -0.1126
S SKP 8
ID FL4DAGGS0003
KNApSAcK_ID C00008724
NAME Ampelopsin 3'-glucoside
CAS_RN 82181-87-1
FORMULA C21H22O13
EXACTMASS 482.10604078999995
AVERAGEMASS 482.39158
SMILES c(c(O)4)c(O)c(C3=O)c(c4)O[C@@H]([C@H]3O)c(c1)cc(O[C@H](O2)C(O)C(O)[C@@H](O)[C@H]2CO)c(O)c(O)1
M END
