Mol:FL1DHYNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8084 -0.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8084 -0.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0939 -0.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0939 -0.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0939 0.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0939 0.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8084 0.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8084 0.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5229 0.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5229 0.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5229 -0.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5229 -0.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8084 1.5063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8084 1.5063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4816 1.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4816 1.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3940 0.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3940 0.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2919 0.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2919 0.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3940 1.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3940 1.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9885 0.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9885 0.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9885 1.5376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9885 1.5376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4877 2.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4877 2.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7168 0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7168 0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7168 -0.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7168 -0.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4313 -0.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4313 -0.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4313 0.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4313 0.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1458 -0.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1458 -0.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1458 0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1458 0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8600 0.7864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8600 0.7864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5757 0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5757 0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5757 -0.4526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5757 -0.4526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8084 -1.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8084 -1.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1057 -2.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1057 -2.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2373 0.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2373 0.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9518 0.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9518 0.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9518 -0.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9518 -0.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2373 -0.8549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2373 -0.8549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3917 -0.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3917 -0.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5757 -0.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5757 -0.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 |
| − | 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 |
| − | 3 9 1 0 0 0 0 | + | 3 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 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 12 15 1 0 0 0 0 | + | 12 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 19 2 0 0 0 0 | + | 17 19 2 0 0 0 0 |
| − | 20 18 2 0 0 0 0 | + | 20 18 2 0 0 0 0 |
| − | 18 15 1 0 0 0 0 | + | 18 15 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 5 26 1 0 0 0 0 | + | 5 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 6 1 0 0 0 0 | + | 29 6 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DHYNP0001 | + | ID FL1DHYNP0001 |
| − | KNApSAcK_ID C00014624 | + | KNApSAcK_ID C00014624 |
| − | NAME Ponganone VIII;3-(1,3-Benzodioxol-5-yl)-1-(5,8-dimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-methoxy-1-propanone | + | NAME Ponganone VIII;3-(1,3-Benzodioxol-5-yl)-1-(5,8-dimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-methoxy-1-propanone |
| − | CAS_RN 142608-94-4 | + | CAS_RN 142608-94-4 |
| − | FORMULA C24H26O7 | + | FORMULA C24H26O7 |
| − | EXACTMASS 426.167853186 | + | EXACTMASS 426.167853186 |
| − | AVERAGEMASS 426.45903999999996 | + | AVERAGEMASS 426.45903999999996 |
| − | SMILES c(O4)(c3OC)c(C=CC4(C)C)c(c(c3)C(CC(OC)c(c2)cc(c1c2)OCO1)=O)OC | + | SMILES c(O4)(c3OC)c(C=CC4(C)C)c(c(c3)C(CC(OC)c(c2)cc(c1c2)OCO1)=O)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/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.8084 -0.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0939 -0.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0939 0.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8084 0.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5229 0.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5229 -0.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8084 1.5063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4816 1.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3940 0.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2919 0.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3940 1.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9885 0.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9885 1.5376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4877 2.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7168 0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7168 -0.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4313 -0.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4313 0.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1458 -0.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1458 0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8600 0.7864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5757 0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5757 -0.4526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8084 -1.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1057 -2.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2373 0.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9518 0.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9518 -0.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2373 -0.8549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3917 -0.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5757 -0.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6 1 1 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
4 7 1 0 0 0 0
7 8 1 0 0 0 0
3 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
10 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
12 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 19 2 0 0 0 0
20 18 2 0 0 0 0
18 15 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
19 23 1 0 0 0 0
1 24 1 0 0 0 0
24 25 1 0 0 0 0
5 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 6 1 0 0 0 0
28 30 1 0 0 0 0
28 31 1 0 0 0 0
S SKP 8
ID FL1DHYNP0001
KNApSAcK_ID C00014624
NAME Ponganone VIII;3-(1,3-Benzodioxol-5-yl)-1-(5,8-dimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-methoxy-1-propanone
CAS_RN 142608-94-4
FORMULA C24H26O7
EXACTMASS 426.167853186
AVERAGEMASS 426.45903999999996
SMILES c(O4)(c3OC)c(C=CC4(C)C)c(c(c3)C(CC(OC)c(c2)cc(c1c2)OCO1)=O)OC
M END
