Mol:FLIAAANP0012
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 34 0 0 0 0 0 0 0 0999 V2000 | + | 30 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3261 0.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3261 0.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3261 -0.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3261 -0.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7698 -0.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7698 -0.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2135 -0.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2135 -0.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2135 0.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2135 0.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7698 0.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7698 0.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6572 -0.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6572 -0.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1009 -0.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1009 -0.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1009 0.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1009 0.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6572 0.7050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6572 0.7050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4552 -0.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4552 -0.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4552 -1.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4552 -1.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0500 -1.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0500 -1.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6447 -1.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6447 -1.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6447 -0.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6447 -0.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0500 -0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0500 -0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8822 0.7049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8822 0.7049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6572 -1.2251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6572 -1.2251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7698 1.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7698 1.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3259 1.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3259 1.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2395 -1.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2395 -1.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8343 -1.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8343 -1.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8343 -0.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8343 -0.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2395 -0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2395 -0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8822 1.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8822 1.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8822 1.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8822 1.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4885 1.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4885 1.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7698 -1.2219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7698 -1.2219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8343 -1.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8343 -1.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4885 -0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4885 -0.8888 0.0000 C 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAANP0012 | + | ID FLIAAANP0012 |
| − | KNApSAcK_ID C00009937 | + | KNApSAcK_ID C00009937 |
| − | NAME Ulexone B | + | NAME Ulexone B |
| − | CAS_RN 128988-21-6 | + | CAS_RN 128988-21-6 |
| − | FORMULA C25H22O5 | + | FORMULA C25H22O5 |
| − | EXACTMASS 402.146723814 | + | EXACTMASS 402.146723814 |
| − | AVERAGEMASS 402.43918 | + | AVERAGEMASS 402.43918 |
| − | SMILES C(=C1)C(Oc(c5)c1c(c(c(O)5)2)OC=C(c(c3)ccc(O4)c3C=CC4(C)C)C(=O)2)(C)C | + | SMILES C(=C1)C(Oc(c5)c1c(c(c(O)5)2)OC=C(c(c3)ccc(O4)c3C=CC4(C)C)C(=O)2)(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 34 0 0 0 0 0 0 0 0999 V2000
-2.3261 0.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3261 -0.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7698 -0.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2135 -0.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2135 0.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7698 0.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6572 -0.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1009 -0.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1009 0.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6572 0.7050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4552 -0.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4552 -1.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0500 -1.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6447 -1.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6447 -0.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0500 -0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8822 0.7049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6572 -1.2251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7698 1.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3259 1.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2395 -1.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8343 -1.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8343 -0.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2395 -0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8822 1.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8822 1.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4885 1.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7698 -1.2219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8343 -1.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4885 -0.8888 0.0000 C 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
S SKP 8
ID FLIAAANP0012
KNApSAcK_ID C00009937
NAME Ulexone B
CAS_RN 128988-21-6
FORMULA C25H22O5
EXACTMASS 402.146723814
AVERAGEMASS 402.43918
SMILES C(=C1)C(Oc(c5)c1c(c(c(O)5)2)OC=C(c(c3)ccc(O4)c3C=CC4(C)C)C(=O)2)(C)C
M END
