Mol:FL3FALNP0011
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2507 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2507 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2507 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2507 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6944 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6944 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1381 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1381 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1381 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1381 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6944 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6944 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5818 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5818 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0255 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0255 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0255 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0255 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5818 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5818 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5818 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5818 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5306 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5306 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0976 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0976 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6645 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6645 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6645 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6645 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0976 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0976 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5306 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5306 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1781 1.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1781 1.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6944 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6944 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8070 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8070 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3633 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3633 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3633 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3633 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8070 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8070 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9194 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9194 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3633 0.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3633 0.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2535 -0.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2535 -0.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8096 0.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8096 0.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3645 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3645 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9194 0.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9194 0.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3645 -0.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3645 -0.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0976 -0.8367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0976 -0.8367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0976 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0976 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 18 15 1 0 0 0 0 | + | 18 15 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 2 1 0 0 0 0 | + | 23 2 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 26 14 1 0 0 0 0 | + | 26 14 1 0 0 0 0 |
| − | 13 31 1 0 0 0 0 | + | 13 31 1 0 0 0 0 |
| − | 16 32 1 0 0 0 0 | + | 16 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALNP0011 | + | ID FL3FALNP0011 |
| − | KNApSAcK_ID C00004066 | + | KNApSAcK_ID C00004066 |
| − | NAME Artobilichromene | + | NAME Artobilichromene |
| − | CAS_RN 54963-50-7 | + | CAS_RN 54963-50-7 |
| − | FORMULA C25H24O7 | + | FORMULA C25H24O7 |
| − | EXACTMASS 436.152203122 | + | EXACTMASS 436.152203122 |
| − | AVERAGEMASS 436.45385999999996 | + | AVERAGEMASS 436.45385999999996 |
| − | SMILES C(C)(C)=CCc(c1O)c(O)c(O)cc(C(=C2)Oc(c4)c(c(O)c(c43)C=CC(O3)(C)C)C2=O)1 | + | SMILES C(C)(C)=CCc(c1O)c(O)c(O)cc(C(=C2)Oc(c4)c(c(O)c(c43)C=CC(O3)(C)C)C2=O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-2.2507 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2507 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6944 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1381 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1381 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6944 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5818 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0255 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0255 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5818 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5818 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5306 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0976 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6645 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6645 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0976 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5306 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1781 1.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6944 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8070 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3633 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3633 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8070 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9194 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3633 0.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2535 -0.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8096 0.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3645 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9194 0.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3645 -0.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0976 -0.8367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0976 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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
7 11 2 0 0 0 0
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
18 15 1 0 0 0 0
3 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 2 1 0 0 0 0
21 24 1 0 0 0 0
21 25 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
26 14 1 0 0 0 0
13 31 1 0 0 0 0
16 32 1 0 0 0 0
S SKP 8
ID FL3FALNP0011
KNApSAcK_ID C00004066
NAME Artobilichromene
CAS_RN 54963-50-7
FORMULA C25H24O7
EXACTMASS 436.152203122
AVERAGEMASS 436.45385999999996
SMILES C(C)(C)=CCc(c1O)c(O)c(O)cc(C(=C2)Oc(c4)c(c(O)c(c43)C=CC(O3)(C)C)C2=O)1
M END
