Mol:FL4DAGGS0002
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 |
| − | -0.6372 -0.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6372 -0.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1163 -1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1163 -1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4045 -0.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4045 -0.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4045 -0.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4045 -0.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1163 0.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1163 0.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6372 -0.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6372 -0.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9254 -1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9254 -1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4463 -0.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4463 -0.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4463 -0.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4463 -0.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9254 0.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9254 0.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9254 -1.5874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9254 -1.5874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0260 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0260 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5547 -0.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5547 -0.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0835 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0835 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0835 0.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0835 0.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5547 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5547 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0260 0.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0260 0.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1704 0.1465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1704 0.1465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9145 -1.3395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9145 -1.3395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6122 1.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6122 1.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2129 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2129 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8688 -0.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8688 -0.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3733 -0.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3733 -0.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8952 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8952 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2426 0.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2426 0.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7488 -0.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7488 -0.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6122 -0.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6122 -0.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4053 -0.4989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4053 -0.4989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0894 -0.7567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0894 -0.7567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1163 -1.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1163 -1.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5547 1.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5547 1.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6122 -0.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6122 -0.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5918 0.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5918 0.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3887 0.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3887 0.4794 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 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 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 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 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 2 30 1 0 0 0 0 | + | 2 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | 14 32 1 0 0 0 0 | + | 14 32 1 0 0 0 0 |
| − | 26 33 1 0 0 0 0 | + | 26 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 SBV 1 36 -6.7312 3.8412 | + | M SBV 1 36 -6.7312 3.8412 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DAGGS0002 | + | ID FL4DAGGS0002 |
| − | KNApSAcK_ID C00008723 | + | KNApSAcK_ID C00008723 |
| − | NAME Ampelopsin 7-glucoside | + | NAME Ampelopsin 7-glucoside |
| − | CAS_RN 87314-54-3 | + | CAS_RN 87314-54-3 |
| − | FORMULA C21H22O13 | + | FORMULA C21H22O13 |
| − | EXACTMASS 482.10604078999995 | + | EXACTMASS 482.10604078999995 |
| − | AVERAGEMASS 482.39158 | + | AVERAGEMASS 482.39158 |
| − | SMILES C(O1)(Oc(c4)cc(c3c4O)OC(C(C(=O)3)O)c(c2)cc(O)c(O)c(O)2)C(O)C(O)C(O)C1CO | + | SMILES C(O1)(Oc(c4)cc(c3c4O)OC(C(C(=O)3)O)c(c2)cc(O)c(O)c(O)2)C(O)C(O)C(O)C1CO |
M END | M END | ||
| − | |||
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
-0.6372 -0.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1163 -1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4045 -0.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4045 -0.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1163 0.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6372 -0.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9254 -1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4463 -0.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4463 -0.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9254 0.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9254 -1.5874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0260 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5547 -0.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0835 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0835 0.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5547 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0260 0.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1704 0.1465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9145 -1.3395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6122 1.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2129 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8688 -0.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3733 -0.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8952 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2426 0.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7488 -0.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6122 -0.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4053 -0.4989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0894 -0.7567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1163 -1.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5547 1.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6122 -0.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5918 0.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3887 0.4794 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
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 18 1 0 0 0 0
2 30 1 0 0 0 0
16 31 1 0 0 0 0
14 32 1 0 0 0 0
26 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 SBV 1 36 -6.7312 3.8412
S SKP 8
ID FL4DAGGS0002
KNApSAcK_ID C00008723
NAME Ampelopsin 7-glucoside
CAS_RN 87314-54-3
FORMULA C21H22O13
EXACTMASS 482.10604078999995
AVERAGEMASS 482.39158
SMILES C(O1)(Oc(c4)cc(c3c4O)OC(C(C(=O)3)O)c(c2)cc(O)c(O)c(O)2)C(O)C(O)C(O)C1CO
M END
