Mol:FL3F2CNI0001
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | 0.4008 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4008 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4008 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4008 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3137 0.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3137 0.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0282 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0282 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0282 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0282 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3137 -1.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3137 -1.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1152 -1.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1152 -1.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8297 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8297 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8297 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8297 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1152 0.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1152 0.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5442 0.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5442 0.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2587 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2587 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9731 0.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9731 0.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9731 0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9731 0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2587 1.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2587 1.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5442 0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5442 0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1152 -2.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1152 -2.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7426 0.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7426 0.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7414 -1.4772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7414 -1.4772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4535 -1.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4535 -1.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4571 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4571 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5862 1.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5862 1.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2507 2.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2507 2.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4302 2.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4302 2.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1656 -1.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1656 -1.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8765 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8765 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5862 -1.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5862 -1.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8765 -0.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8765 -0.2472 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 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 10 2 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 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 15 1 0 0 0 0 | + | 24 15 1 0 0 0 0 |
| − | 20 25 1 0 0 0 0 | + | 20 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F2CNI0001 | + | ID FL3F2CNI0001 |
| − | KNApSAcK_ID C00013425 | + | KNApSAcK_ID C00013425 |
| − | NAME Millettocalyxin B;2-(1,3-Benzodioxol-5-yl)-7-methoxy-6-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one | + | NAME Millettocalyxin B;2-(1,3-Benzodioxol-5-yl)-7-methoxy-6-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one |
| − | CAS_RN 422308-56-3 | + | CAS_RN 422308-56-3 |
| − | FORMULA C22H20O6 | + | FORMULA C22H20O6 |
| − | EXACTMASS 380.125988372 | + | EXACTMASS 380.125988372 |
| − | AVERAGEMASS 380.3906 | + | AVERAGEMASS 380.3906 |
| − | SMILES c(O4)(c3OC4)cc(cc3)C(O1)=CC(=O)c(c2)c1cc(c2OCC=C(C)C)OC | + | SMILES c(O4)(c3OC4)cc(cc3)C(O1)=CC(=O)c(c2)c1cc(c2OCC=C(C)C)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/
28 31 0 0 0 0 0 0 0 0999 V2000
0.4008 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4008 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3137 0.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0282 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0282 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3137 -1.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1152 -1.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8297 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8297 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1152 0.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5442 0.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2587 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9731 0.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9731 0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2587 1.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5442 0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1152 -2.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7426 0.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7414 -1.4772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4535 -1.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4571 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5862 1.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2507 2.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4302 2.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1656 -1.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8765 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5862 -1.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8765 -0.2472 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
1 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 2 1 0 0 0 0
9 11 1 0 0 0 0
11 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 11 1 0 0 0 0
7 17 2 0 0 0 0
4 18 1 0 0 0 0
5 19 1 0 0 0 0
19 20 1 0 0 0 0
18 21 1 0 0 0 0
14 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 15 1 0 0 0 0
20 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
S SKP 8
ID FL3F2CNI0001
KNApSAcK_ID C00013425
NAME Millettocalyxin B;2-(1,3-Benzodioxol-5-yl)-7-methoxy-6-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one
CAS_RN 422308-56-3
FORMULA C22H20O6
EXACTMASS 380.125988372
AVERAGEMASS 380.3906
SMILES c(O4)(c3OC4)cc(cc3)C(O1)=CC(=O)c(c2)c1cc(c2OCC=C(C)C)OC
M END
