Mol:FL1DAAGS0005
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 36 0 0 0 0 0 0 0 0999 V2000 | + | 34 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8980 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8980 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8980 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8980 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1836 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1836 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5309 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5309 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5309 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5309 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1836 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1836 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2454 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2454 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9598 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9598 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9598 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9598 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6743 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6743 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3888 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3888 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1033 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1033 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1033 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1033 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3888 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3888 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6743 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6743 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2454 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2454 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1214 0.5472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1214 0.5472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5564 0.5863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5564 0.5863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1836 -1.7080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1836 -1.7080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2565 0.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2565 0.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7839 -0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7839 -0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0065 0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0065 0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1964 0.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1964 0.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6690 0.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6690 0.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4465 0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4465 0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6533 1.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6533 1.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1552 1.3133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1552 1.3133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6963 0.1430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6963 0.1430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3803 0.2001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3803 0.2001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1222 -0.3857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1222 -0.3857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6963 1.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6963 1.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1222 -1.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1222 -1.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7016 -1.3690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7016 -1.3690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6045 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6045 -1.3334 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 |
| − | 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 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 5 17 1 0 0 0 0 | + | 5 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 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 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 13 31 1 0 0 0 0 | + | 13 31 1 0 0 0 0 |
| − | 18 23 1 0 0 0 0 | + | 18 23 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DAAGS0005 | + | ID FL1DAAGS0005 |
| − | KNApSAcK_ID C00014629 | + | KNApSAcK_ID C00014629 |
| − | NAME Phloretin 2'-O-(2''-O-Acetylglucoside);4,2',4',6'-Tetrahydroxydihydroxychalcone 2'-O-(2''-O-Acetylglucoside) | + | NAME Phloretin 2'-O-(2''-O-Acetylglucoside);4,2',4',6'-Tetrahydroxydihydroxychalcone 2'-O-(2''-O-Acetylglucoside) |
| − | CAS_RN 647853-82-5 | + | CAS_RN 647853-82-5 |
| − | FORMULA C23H26O11 | + | FORMULA C23H26O11 |
| − | EXACTMASS 478.147511674 | + | EXACTMASS 478.147511674 |
| − | AVERAGEMASS 478.44594 | + | AVERAGEMASS 478.44594 |
| − | SMILES C(c(c3)ccc(O)c3)CC(=O)c(c(O)1)c(O)cc(OC(O2)C(OC(C)=O)C(O)C(O)C2CO)c1 | + | SMILES C(c(c3)ccc(O)c3)CC(=O)c(c(O)1)c(O)cc(OC(O2)C(OC(C)=O)C(O)C(O)C2CO)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 36 0 0 0 0 0 0 0 0999 V2000
-0.8980 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8980 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1836 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5309 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5309 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1836 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2454 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9598 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9598 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6743 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3888 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1033 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1033 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3888 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6743 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2454 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1214 0.5472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5564 0.5863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1836 -1.7080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2565 0.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7839 -0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0065 0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1964 0.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6690 0.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4465 0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6533 1.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1552 1.3133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6963 0.1430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3803 0.2001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1222 -0.3857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6963 1.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1222 -1.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7016 -1.3690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6045 -1.3334 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
4 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 11 2 0 0 0 0
11 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 10 1 0 0 0 0
7 16 2 0 0 0 0
5 17 1 0 0 0 0
1 18 1 0 0 0 0
3 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
25 26 1 0 0 0 0
26 27 1 0 0 0 0
20 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
13 31 1 0 0 0 0
18 23 1 0 0 0 0
30 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
S SKP 8
ID FL1DAAGS0005
KNApSAcK_ID C00014629
NAME Phloretin 2'-O-(2''-O-Acetylglucoside);4,2',4',6'-Tetrahydroxydihydroxychalcone 2'-O-(2''-O-Acetylglucoside)
CAS_RN 647853-82-5
FORMULA C23H26O11
EXACTMASS 478.147511674
AVERAGEMASS 478.44594
SMILES C(c(c3)ccc(O)c3)CC(=O)c(c(O)1)c(O)cc(OC(O2)C(OC(C)=O)C(O)C(O)C2CO)c1
M END
