Mol:FL2F1ANN0002
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 34 0 0 0 0 0 0 0 0999 V2000 | + | 30 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -4.3145 0.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3145 0.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3145 -0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3145 -0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6000 -1.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6000 -1.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8856 -0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8856 -0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8856 0.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8856 0.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6000 0.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6000 0.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1711 -1.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1711 -1.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4566 -0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4566 -0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4566 0.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4566 0.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1711 0.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1711 0.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9497 0.4813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9497 0.4813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1711 -1.7830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1711 -1.7830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7102 0.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7102 0.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0042 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0042 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7187 0.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7187 0.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7187 1.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7187 1.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0042 1.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0042 1.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7102 1.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7102 1.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5033 0.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5033 0.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9883 0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9883 0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5033 1.6254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5033 1.6254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8020 0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8020 0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2145 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2145 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0395 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0395 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4520 0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4520 0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0395 1.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0395 1.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2145 1.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2145 1.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0790 0.9580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0790 0.9580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6082 0.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6082 0.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6082 0.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6082 0.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 9 13 1 6 0 0 0 | + | 9 13 1 6 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 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 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 16 1 0 0 0 0 | + | 21 16 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 |
| − | 11 29 1 0 0 0 0 | + | 11 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F1ANN0002 | + | ID FL2F1ANN0002 |
| − | KNApSAcK_ID C00014713 | + | KNApSAcK_ID C00014713 |
| − | NAME Lophirone J;(S)-2,3-Dihydro-7-methoxy-2-[2-(4-methoxyphenyl)-5-benzofuranyl]-4H-1-benzopyran-4-one | + | NAME Lophirone J;(S)-2,3-Dihydro-7-methoxy-2-[2-(4-methoxyphenyl)-5-benzofuranyl]-4H-1-benzopyran-4-one |
| − | CAS_RN 155548-32-6 | + | CAS_RN 155548-32-6 |
| − | FORMULA C25H20O5 | + | FORMULA C25H20O5 |
| − | EXACTMASS 400.13107375 | + | EXACTMASS 400.13107375 |
| − | AVERAGEMASS 400.4233 | + | AVERAGEMASS 400.4233 |
| − | SMILES c(c23)c(oc2ccc(C(O5)CC(c(c54)ccc(c4)OC)=O)c3)c(c1)ccc(c1)OC | + | SMILES c(c23)c(oc2ccc(C(O5)CC(c(c54)ccc(c4)OC)=O)c3)c(c1)ccc(c1)OC |
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 34 0 0 0 0 0 0 0 0999 V2000
-4.3145 0.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3145 -0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6000 -1.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8856 -0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8856 0.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6000 0.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1711 -1.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4566 -0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4566 0.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1711 0.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9497 0.4813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1711 -1.7830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7102 0.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0042 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7187 0.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7187 1.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0042 1.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7102 1.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5033 0.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9883 0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5033 1.6254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8020 0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2145 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0395 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4520 0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0395 1.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2145 1.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0790 0.9580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6082 0.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6082 0.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
1 11 1 0 0 0 0
7 12 2 0 0 0 0
9 13 1 6 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 18 2 0 0 0 0
18 13 1 0 0 0 0
15 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 16 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
11 29 1 0 0 0 0
28 30 1 0 0 0 0
S SKP 8
ID FL2F1ANN0002
KNApSAcK_ID C00014713
NAME Lophirone J;(S)-2,3-Dihydro-7-methoxy-2-[2-(4-methoxyphenyl)-5-benzofuranyl]-4H-1-benzopyran-4-one
CAS_RN 155548-32-6
FORMULA C25H20O5
EXACTMASS 400.13107375
AVERAGEMASS 400.4233
SMILES c(c23)c(oc2ccc(C(O5)CC(c(c54)ccc(c4)OC)=O)c3)c(c1)ccc(c1)OC
M END
