Mol:FLIAAANP0014
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4425 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4425 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4425 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4425 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8862 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8862 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3299 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3299 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3299 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3299 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8862 0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8862 0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2264 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2264 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7827 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7827 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7827 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7827 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2264 0.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2264 0.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3388 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3388 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3388 -1.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3388 -1.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9336 -2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9336 -2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5284 -1.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5284 -1.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5284 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5284 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9336 -0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9336 -0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2264 -1.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2264 -1.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9986 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9986 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9986 0.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9986 0.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8862 -1.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8862 -1.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5547 -0.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5547 -0.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5547 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5547 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5547 0.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5547 0.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1226 -0.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1226 -0.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1226 -2.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1226 -2.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8862 0.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8862 0.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4501 1.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4501 1.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9053 0.8834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9053 0.8834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4501 1.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4501 1.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8869 2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8869 2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0134 2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0134 2.1218 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 18 2 0 0 0 0 | + | 22 18 2 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 14 25 1 0 0 0 0 | + | 14 25 1 0 0 0 0 |
| − | 6 26 1 0 0 0 0 | + | 6 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAANP0014 | + | ID FLIAAANP0014 |
| − | KNApSAcK_ID C00009943 | + | KNApSAcK_ID C00009943 |
| − | NAME Euchrenone b8 | + | NAME Euchrenone b8 |
| − | CAS_RN 130170-04-6 | + | CAS_RN 130170-04-6 |
| − | FORMULA C25H24O6 | + | FORMULA C25H24O6 |
| − | EXACTMASS 420.1572885 | + | EXACTMASS 420.1572885 |
| − | AVERAGEMASS 420.45446 | + | AVERAGEMASS 420.45446 |
| − | SMILES c(c31)(c(c(O4)c(C=CC4(C)C)c3O)CC(C(C)=C)O)OC=C(c(c2)ccc(c2)O)C1=O | + | SMILES c(c31)(c(c(O4)c(C=CC4(C)C)c3O)CC(C(C)=C)O)OC=C(c(c2)ccc(c2)O)C1=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.4425 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4425 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8862 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3299 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3299 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8862 0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2264 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7827 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7827 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2264 0.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3388 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3388 -1.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 -2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5284 -1.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5284 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 -0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2264 -1.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9986 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9986 0.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8862 -1.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5547 -0.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5547 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5547 0.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1226 -0.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1226 -2.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8862 0.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4501 1.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9053 0.8834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4501 1.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8869 2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0134 2.1218 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
7 17 2 0 0 0 0
2 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
22 18 2 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
14 25 1 0 0 0 0
6 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FLIAAANP0014
KNApSAcK_ID C00009943
NAME Euchrenone b8
CAS_RN 130170-04-6
FORMULA C25H24O6
EXACTMASS 420.1572885
AVERAGEMASS 420.45446
SMILES c(c31)(c(c(O4)c(C=CC4(C)C)c3O)CC(C(C)=C)O)OC=C(c(c2)ccc(c2)O)C1=O
M END
