Mol:FL1C1ANN0001
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 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.4417 0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4417 0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4417 0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4417 0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1146 -0.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1146 -0.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6709 0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6709 0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6709 0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6709 0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1146 1.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1146 1.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5749 0.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5749 0.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0186 -0.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0186 -0.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1310 -0.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1310 -0.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6919 0.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6919 0.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1310 -0.7932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1310 -0.7932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6919 0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6919 0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2446 1.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2446 1.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7972 0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7972 0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7972 0.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7972 0.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2446 -0.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2446 -0.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2446 -0.7759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2446 -0.7759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3498 1.1383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3498 1.1383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2818 -0.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2818 -0.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6594 0.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6594 0.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2818 0.9889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2818 0.9889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3015 0.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3015 0.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6431 -0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6431 -0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3262 -0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3262 -0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6678 0.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6678 0.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3262 1.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3262 1.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6431 1.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6431 1.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3498 0.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3498 0.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4803 -0.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4803 -0.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0506 -1.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0506 -1.1384 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 |
| − | 19 29 1 0 0 0 0 | + | 19 29 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANN0001 | + | ID FL1C1ANN0001 |
| − | KNApSAcK_ID C00007165 | + | KNApSAcK_ID C00007165 |
| − | NAME Lophirone D | + | NAME Lophirone D |
| − | CAS_RN 122127-70-2 | + | CAS_RN 122127-70-2 |
| − | FORMULA C24H16O6 | + | FORMULA C24H16O6 |
| − | EXACTMASS 400.094688244 | + | EXACTMASS 400.094688244 |
| − | AVERAGEMASS 400.38024 | + | AVERAGEMASS 400.38024 |
| − | SMILES c(c2)c(cc(c(C=O)3)c2oc3c(c4)ccc(c4)O)C=CC(=O)c(c1O)ccc(c1)O | + | SMILES c(c2)c(cc(c(C=O)3)c2oc3c(c4)ccc(c4)O)C=CC(=O)c(c1O)ccc(c1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-0.4417 0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4417 0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1146 -0.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6709 0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6709 0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1146 1.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5749 0.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0186 -0.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1310 -0.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6919 0.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1310 -0.7932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6919 0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2446 1.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7972 0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7972 0.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2446 -0.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2446 -0.7759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3498 1.1383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2818 -0.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6594 0.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2818 0.9889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3015 0.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6431 -0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3262 -0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6678 0.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3262 1.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6431 1.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3498 0.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4803 -0.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0506 -1.1384 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
19 29 1 0 0 0 0
29 30 2 0 0 0 0
S SKP 8
ID FL1C1ANN0001
KNApSAcK_ID C00007165
NAME Lophirone D
CAS_RN 122127-70-2
FORMULA C24H16O6
EXACTMASS 400.094688244
AVERAGEMASS 400.38024
SMILES c(c2)c(cc(c(C=O)3)c2oc3c(c4)ccc(c4)O)C=CC(=O)c(c1O)ccc(c1)O
M END
