Mol:FL3FALNP0008
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
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| − | 1.0839 0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0839 0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.2178 0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2178 0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2178 1.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2178 1.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6509 1.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6509 1.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0839 1.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0839 1.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7313 1.2898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7313 1.2898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1411 -1.5263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1411 -1.5263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6509 -0.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6509 -0.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.1746 -1.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1746 -1.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 |
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| − | 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 |
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| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
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| − | 21 20 1 0 0 0 0 | + | 21 20 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 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 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 1 1 0 0 0 0 | + | 25 1 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
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| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
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| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | 17 32 1 0 0 0 0 | + | 17 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALNP0008 | + | ID FL3FALNP0008 |
| − | KNApSAcK_ID C00004059 | + | KNApSAcK_ID C00004059 |
| − | NAME Morusinol;Oxydihydromorusin;2-(2,4-Dihydroxyphenyl)-5-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one | + | NAME Morusinol;Oxydihydromorusin;2-(2,4-Dihydroxyphenyl)-5-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one |
| − | CAS_RN 62949-93-3 | + | CAS_RN 62949-93-3 |
| − | FORMULA C25H26O7 | + | FORMULA C25H26O7 |
| − | EXACTMASS 438.167853186 | + | EXACTMASS 438.167853186 |
| − | AVERAGEMASS 438.46974 | + | AVERAGEMASS 438.46974 |
| − | SMILES Oc(c1C(O2)=C(C(=O)c(c4O)c(c(c(c4)3)C=CC(O3)(C)C)2)CCC(C)(C)O)cc(cc1)O | + | SMILES Oc(c1C(O2)=C(C(=O)c(c4O)c(c(c(c4)3)C=CC(O3)(C)C)2)CCC(C)(C)O)cc(cc1)O |
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
-1.6974 0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6974 -0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1411 -0.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5848 -0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5848 0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1411 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0285 -0.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5278 -0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5278 0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0285 0.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0285 -1.3850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0839 0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6509 0.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2178 0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2178 1.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6509 1.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0839 1.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7313 1.2898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1411 -1.5263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6509 -0.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0839 -0.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1411 1.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6974 1.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2537 1.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2537 0.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5538 1.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7711 1.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1960 -0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7624 -0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1746 -1.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7711 -1.2529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6031 1.3327 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
8 21 1 0 0 0 0
21 20 1 0 0 0 0
6 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 1 1 0 0 0 0
24 26 1 0 0 0 0
24 27 1 0 0 0 0
20 28 1 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
28 31 1 0 0 0 0
17 32 1 0 0 0 0
S SKP 8
ID FL3FALNP0008
KNApSAcK_ID C00004059
NAME Morusinol;Oxydihydromorusin;2-(2,4-Dihydroxyphenyl)-5-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
CAS_RN 62949-93-3
FORMULA C25H26O7
EXACTMASS 438.167853186
AVERAGEMASS 438.46974
SMILES Oc(c1C(O2)=C(C(=O)c(c4O)c(c(c(c4)3)C=CC(O3)(C)C)2)CCC(C)(C)O)cc(cc1)O
M END
