Mol:FL4DAAGI0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 40 0 0 0 0 0 0 0 0999 V2000 | + | 37 40 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9978 -0.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9978 -0.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2777 -0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2777 -0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0066 -1.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0066 -1.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2938 -2.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2938 -2.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4218 -1.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4218 -1.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4331 -0.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4331 -0.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1349 -2.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1349 -2.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8530 -1.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8530 -1.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8598 -0.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8598 -0.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1531 -0.4429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1531 -0.4429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5981 -0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5981 -0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6070 0.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6070 0.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3262 0.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3262 0.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0345 0.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0345 0.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0281 -0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0281 -0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3082 -0.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3082 -0.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1200 -2.9177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1200 -2.9177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7061 -0.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7061 -0.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5414 -2.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5414 -2.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2938 -2.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2938 -2.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3262 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3262 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7679 0.7902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7679 0.7902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7373 1.8733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7373 1.8733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7373 2.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7373 2.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3357 2.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3357 2.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1619 2.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1619 2.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2847 -0.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2847 -0.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8721 -1.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8721 -1.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0737 -0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0737 -0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2803 -1.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2803 -1.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6928 -0.3222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6928 -0.3222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4912 -0.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4912 -0.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6482 0.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6482 0.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -4.7679 -0.7878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7679 -0.7878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3208 -0.7602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3208 -0.7602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2452 -1.4501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2452 -1.4501 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 10 6 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 4 20 1 0 0 0 0 | + | 4 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 28 29 1 1 0 0 0 | + | 28 29 1 1 0 0 0 |
| − | 30 29 1 1 0 0 0 | + | 30 29 1 1 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 27 1 0 0 0 0 | + | 32 27 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 27 35 1 0 0 0 0 | + | 27 35 1 0 0 0 0 |
| − | 28 36 1 0 0 0 0 | + | 28 36 1 0 0 0 0 |
| − | 29 37 1 0 0 0 0 | + | 29 37 1 0 0 0 0 |
| − | 30 18 1 0 0 0 0 | + | 30 18 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DAAGI0004 | + | ID FL4DAAGI0004 |
| − | KNApSAcK_ID C00014416 | + | KNApSAcK_ID C00014416 |
| − | NAME Phellochinin A;3,5,7,4'-Tetrahydroxy-3'-prenylflavanone 7-glucoside | + | NAME Phellochinin A;3,5,7,4'-Tetrahydroxy-3'-prenylflavanone 7-glucoside |
| − | CAS_RN 220860-05-9 | + | CAS_RN 220860-05-9 |
| − | FORMULA C26H30O11 | + | FORMULA C26H30O11 |
| − | EXACTMASS 518.1788118019999 | + | EXACTMASS 518.1788118019999 |
| − | AVERAGEMASS 518.5098 | + | AVERAGEMASS 518.5098 |
| − | SMILES C(C(O1)C(O)C(C(O)C1Oc(c2)cc(O)c(C3=O)c2OC(c(c4)cc(c(O)c4)CC=C(C)C)C3O)O)O | + | SMILES C(C(O1)C(O)C(C(O)C1Oc(c2)cc(O)c(C3=O)c2OC(c(c4)cc(c(O)c4)CC=C(C)C)C3O)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/
37 40 0 0 0 0 0 0 0 0999 V2000
-0.9978 -0.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2777 -0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0066 -1.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2938 -2.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4218 -1.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4331 -0.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1349 -2.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8530 -1.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8598 -0.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1531 -0.4429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 -0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6070 0.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3262 0.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0345 0.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0281 -0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3082 -0.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1200 -2.9177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7061 -0.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5414 -2.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2938 -2.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3262 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7679 0.7902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7373 1.8733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7373 2.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3357 2.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1619 2.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2847 -0.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8721 -1.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0737 -0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2803 -1.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6928 -0.3222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4912 -0.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6482 0.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1281 0.3316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7679 -0.7878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3208 -0.7602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2452 -1.4501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 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 6 1 0 0 0 0
9 11 1 6 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
8 19 1 1 0 0 0
4 20 1 0 0 0 0
13 21 1 0 0 0 0
14 22 1 0 0 0 0
21 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
27 28 1 1 0 0 0
28 29 1 1 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 27 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
27 35 1 0 0 0 0
28 36 1 0 0 0 0
29 37 1 0 0 0 0
30 18 1 0 0 0 0
S SKP 8
ID FL4DAAGI0004
KNApSAcK_ID C00014416
NAME Phellochinin A;3,5,7,4'-Tetrahydroxy-3'-prenylflavanone 7-glucoside
CAS_RN 220860-05-9
FORMULA C26H30O11
EXACTMASS 518.1788118019999
AVERAGEMASS 518.5098
SMILES C(C(O1)C(O)C(C(O)C1Oc(c2)cc(O)c(C3=O)c2OC(c(c4)cc(c(O)c4)CC=C(C)C)C3O)O)O
M END
