Mol:FL2FAANI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0217 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0217 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0217 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0217 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5212 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5212 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0208 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0208 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0208 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0208 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5212 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5212 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4797 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4797 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9801 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9801 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9801 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9801 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4797 0.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4797 0.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4803 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4803 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9946 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9946 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5090 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5090 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5090 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5090 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9946 1.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9946 1.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4803 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4803 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9801 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9801 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5212 -1.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5212 -1.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5218 0.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5218 0.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4797 -1.1060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4797 -1.1060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0222 1.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0222 1.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5218 -0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5218 -0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0219 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0219 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5221 -0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5221 -0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0222 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0222 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5221 -1.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5221 -1.3118 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 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 |
| − | 9 17 1 1 0 0 0 | + | 9 17 1 1 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 7 20 2 0 0 0 0 | + | 7 20 2 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAANI0003 | + | ID FL2FAANI0003 |
| − | KNApSAcK_ID C00000997 | + | KNApSAcK_ID C00000997 |
| − | NAME 6-Prenylnaringenin | + | NAME 6-Prenylnaringenin |
| − | CAS_RN 68236-13-5 | + | CAS_RN 68236-13-5 |
| − | FORMULA C20H20O5 | + | FORMULA C20H20O5 |
| − | EXACTMASS 340.13107375 | + | EXACTMASS 340.13107375 |
| − | AVERAGEMASS 340.3698 | + | AVERAGEMASS 340.3698 |
| − | SMILES C(O1)(c(c3)ccc(O)c3)([H])CC(=O)c(c2O)c1cc(c(CC=C(C)C)2)O | + | SMILES C(O1)(c(c3)ccc(O)c3)([H])CC(=O)c(c2O)c1cc(c(CC=C(C)C)2)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/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.0217 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0217 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5212 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0208 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0208 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5212 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4797 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9801 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9801 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4797 0.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4803 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9946 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5090 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5090 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9946 1.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4803 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9801 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5212 -1.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5218 0.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4797 -1.1060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0222 1.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5218 -0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0219 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5221 -0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0222 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5221 -1.3118 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 5 1 0 0 0 0
9 11 1 0 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
9 17 1 1 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
7 20 2 0 0 0 0
14 21 1 0 0 0 0
2 22 1 0 0 0 0
22 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
S SKP 8
ID FL2FAANI0003
KNApSAcK_ID C00000997
NAME 6-Prenylnaringenin
CAS_RN 68236-13-5
FORMULA C20H20O5
EXACTMASS 340.13107375
AVERAGEMASS 340.3698
SMILES C(O1)(c(c3)ccc(O)c3)([H])CC(=O)c(c2O)c1cc(c(CC=C(C)C)2)O
M END
