Mol:FLIAAANP0013
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 35 0 0 0 0 0 0 0 0999 V2000 | + | 31 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3261 0.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3261 0.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3261 -0.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3261 -0.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7698 -0.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7698 -0.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2135 -0.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2135 -0.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2135 0.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2135 0.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7698 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7698 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6572 -0.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6572 -0.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1009 -0.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1009 -0.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1009 0.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1009 0.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6572 0.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6572 0.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4552 -0.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4552 -0.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4552 -1.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4552 -1.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0500 -1.7523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0500 -1.7523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6447 -1.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6447 -1.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6447 -0.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6447 -0.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0500 -0.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0500 -0.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8822 0.5623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8822 0.5623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6572 -1.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6572 -1.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7698 1.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7698 1.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3259 1.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3259 1.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2395 -1.7523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2395 -1.7523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8343 -1.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8343 -1.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8343 -0.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8343 -0.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2395 -0.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2395 -0.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.8822 1.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8822 1.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4885 1.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4885 1.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.8343 -2.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8343 -2.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4885 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4885 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3759 2.1353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3759 2.1353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 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 15 1 0 0 0 0 | + | 24 15 1 0 0 0 0 |
| − | 20 25 1 0 0 0 0 | + | 20 25 1 0 0 0 0 |
| − | 25 17 1 0 0 0 0 | + | 25 17 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 3 28 1 0 0 0 0 | + | 3 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 26 31 1 0 0 0 0 | + | 26 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAANP0013 | + | ID FLIAAANP0013 |
| − | KNApSAcK_ID C00009938 | + | KNApSAcK_ID C00009938 |
| − | NAME Ulexone D | + | NAME Ulexone D |
| − | CAS_RN 128988-23-8 | + | CAS_RN 128988-23-8 |
| − | FORMULA C25H22O6 | + | FORMULA C25H22O6 |
| − | EXACTMASS 418.141638436 | + | EXACTMASS 418.141638436 |
| − | AVERAGEMASS 418.43858 | + | AVERAGEMASS 418.43858 |
| − | SMILES c(c2C(=C3)C(=O)c(c(O)4)c(c(C=5)c(OC(C)(CO)C5)c4)O3)c(C=1)c(cc2)OC(C1)(C)C | + | SMILES c(c2C(=C3)C(=O)c(c(O)4)c(c(C=5)c(OC(C)(CO)C5)c4)O3)c(C=1)c(cc2)OC(C1)(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 35 0 0 0 0 0 0 0 0999 V2000
-2.3261 0.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3261 -0.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7698 -0.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2135 -0.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2135 0.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7698 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6572 -0.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1009 -0.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1009 0.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6572 0.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4552 -0.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4552 -1.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0500 -1.7523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6447 -1.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6447 -0.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0500 -0.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8822 0.5623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6572 -1.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7698 1.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3259 1.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2395 -1.7523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8343 -1.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8343 -0.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2395 -0.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8822 1.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8822 1.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4885 1.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7698 -1.3644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8343 -2.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4885 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3759 2.1353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 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 16 1 0 0 0 0
16 11 2 0 0 0 0
1 2 1 0 0 0 0
1 17 1 0 0 0 0
7 18 2 0 0 0 0
6 19 1 0 0 0 0
19 20 2 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 15 1 0 0 0 0
20 25 1 0 0 0 0
25 17 1 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
3 28 1 0 0 0 0
22 29 1 0 0 0 0
22 30 1 0 0 0 0
26 31 1 0 0 0 0
S SKP 8
ID FLIAAANP0013
KNApSAcK_ID C00009938
NAME Ulexone D
CAS_RN 128988-23-8
FORMULA C25H22O6
EXACTMASS 418.141638436
AVERAGEMASS 418.43858
SMILES c(c2C(=C3)C(=O)c(c(O)4)c(c(C=5)c(OC(C)(CO)C5)c4)O3)c(C=1)c(cc2)OC(C1)(C)C
M END
