Mol:FL1C1ANN0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 31 0 0 0 0 0 0 0 0999 V2000 | + | 28 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.4417 0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4417 0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4417 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4417 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1146 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1146 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6709 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6709 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6709 0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6709 0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1146 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1146 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5749 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5749 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0186 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0186 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1310 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1310 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6919 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6919 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1310 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1310 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6919 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6919 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2446 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2446 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7972 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7972 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7972 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7972 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2446 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2446 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2446 -0.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2446 -0.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3498 0.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3498 0.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2818 -0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2818 -0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6594 0.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6594 0.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2818 0.8163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2818 0.8163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3015 0.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3015 0.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6431 -0.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6431 -0.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3262 -0.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3262 -0.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6678 0.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6678 0.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3262 0.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3262 0.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6431 0.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6431 0.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3498 0.2966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3498 0.2966 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 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 12 2 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 5 1 0 0 0 0 | + | 21 5 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANN0002 | + | ID FL1C1ANN0002 |
| − | KNApSAcK_ID C00007166 | + | KNApSAcK_ID C00007166 |
| − | NAME Lophirone E | + | NAME Lophirone E |
| − | CAS_RN 122127-72-4 | + | CAS_RN 122127-72-4 |
| − | FORMULA C23H16O5 | + | FORMULA C23H16O5 |
| − | EXACTMASS 372.099773622 | + | EXACTMASS 372.099773622 |
| − | AVERAGEMASS 372.37014000000005 | + | AVERAGEMASS 372.37014000000005 |
| − | SMILES c(C=CC(c(c(O)4)ccc(O)c4)=O)(c3)ccc(c31)oc(c(c2)ccc(c2)O)c1 | + | SMILES c(C=CC(c(c(O)4)ccc(O)c4)=O)(c3)ccc(c31)oc(c(c2)ccc(c2)O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 31 0 0 0 0 0 0 0 0999 V2000
-0.4417 0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4417 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1146 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6709 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6709 0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1146 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5749 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0186 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1310 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6919 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1310 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6919 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2446 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7972 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7972 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2446 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2446 -0.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3498 0.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2818 -0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6594 0.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2818 0.8163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3015 0.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6431 -0.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3262 -0.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6678 0.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3262 0.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6431 0.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3498 0.2966 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 12 2 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 10 1 0 0 0 0
16 17 1 0 0 0 0
14 18 1 0 0 0 0
4 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 5 1 0 0 0 0
20 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 22 1 0 0 0 0
25 28 1 0 0 0 0
S SKP 8
ID FL1C1ANN0002
KNApSAcK_ID C00007166
NAME Lophirone E
CAS_RN 122127-72-4
FORMULA C23H16O5
EXACTMASS 372.099773622
AVERAGEMASS 372.37014000000005
SMILES c(C=CC(c(c(O)4)ccc(O)c4)=O)(c3)ccc(c31)oc(c(c2)ccc(c2)O)c1
M END
