Mol:FLIAACNP0001
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 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1965 0.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1965 0.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1965 -0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1965 -0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6960 -0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6960 -0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1956 -0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1956 -0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1956 0.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1956 0.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6960 0.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6960 0.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3049 -0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3049 -0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8053 -0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8053 -0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8053 0.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8053 0.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3049 0.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3049 0.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3049 -0.8769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3049 -0.8769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3054 -0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3054 -0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3054 -0.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3054 -0.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7695 -1.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7695 -1.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2337 -0.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2337 -0.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2337 -0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2337 -0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7695 -0.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7695 -0.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6960 -0.8772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6960 -0.8772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7695 -1.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7695 -1.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6969 -1.1029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6969 -1.1029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6960 1.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6960 1.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1965 1.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1965 1.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6969 1.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6969 1.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6969 0.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6969 0.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2328 1.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2328 1.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3403 1.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3403 1.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6966 -0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6966 -0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6966 -0.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6966 -0.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1968 -1.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1968 -1.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6969 -0.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6969 -0.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1968 -1.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1968 -1.7433 0.0000 C 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 |
| − | 8 12 1 0 0 0 0 | + | 8 12 1 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 12 2 0 0 0 0 | + | 17 12 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 1 1 0 0 0 0 | + | 24 1 1 0 0 0 0 |
| − | 23 25 1 1 0 0 0 | + | 23 25 1 1 0 0 0 |
| − | 23 26 1 6 0 0 0 | + | 23 26 1 6 0 0 0 |
| − | 2 27 1 0 0 0 0 | + | 2 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 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 FLIAACNP0001 | + | ID FLIAACNP0001 |
| − | KNApSAcK_ID C00002562 | + | KNApSAcK_ID C00002562 |
| − | NAME Pomiferin | + | NAME Pomiferin |
| − | CAS_RN 572-03-2 | + | CAS_RN 572-03-2 |
| − | FORMULA C25H24O6 | + | FORMULA C25H24O6 |
| − | EXACTMASS 420.1572885 | + | EXACTMASS 420.1572885 |
| − | AVERAGEMASS 420.45446 | + | AVERAGEMASS 420.45446 |
| − | SMILES c(c(O)4)(cc(cc4)C(=C1)C(c(c3O)c(c(c2c3CC=C(C)C)C=CC(O2)(C)C)O1)=O)O | + | SMILES c(c(O)4)(cc(cc4)C(=C1)C(c(c3O)c(c(c2c3CC=C(C)C)C=CC(O2)(C)C)O1)=O)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
-1.1965 0.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1965 -0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6960 -0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1956 -0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1956 0.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6960 0.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3049 -0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8053 -0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8053 0.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3049 0.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3049 -0.8769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3054 -0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3054 -0.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7695 -1.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2337 -0.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2337 -0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7695 -0.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6960 -0.8772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7695 -1.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6969 -1.1029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6960 1.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1965 1.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6969 1.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6969 0.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2328 1.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3403 1.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6966 -0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6966 -0.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1968 -1.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6969 -0.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1968 -1.7433 0.0000 C 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
8 12 1 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 17 1 0 0 0 0
17 12 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
15 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 1 1 0 0 0 0
23 25 1 1 0 0 0
23 26 1 6 0 0 0
2 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FLIAACNP0001
KNApSAcK_ID C00002562
NAME Pomiferin
CAS_RN 572-03-2
FORMULA C25H24O6
EXACTMASS 420.1572885
AVERAGEMASS 420.45446
SMILES c(c(O)4)(cc(cc4)C(=C1)C(c(c3O)c(c(c2c3CC=C(C)C)C=CC(O2)(C)C)O1)=O)O
M END
