Mol:FL2FF8NS0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8761 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8761 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8761 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8761 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1616 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1616 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4472 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4472 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4472 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4472 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1616 0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1616 0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2673 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2673 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9818 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9818 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9818 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9818 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2673 0.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2673 0.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7403 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7403 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4547 0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4547 0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1692 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1692 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1692 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1692 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4547 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4547 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7403 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7403 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2673 -1.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2673 -1.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1616 -1.7866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1616 -1.7866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5465 0.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5465 0.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1616 1.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1616 1.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7944 1.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7944 1.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4547 -0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4547 -0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1692 0.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1692 0.1716 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 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 12 22 1 0 0 0 0 | + | 12 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FF8NS0007 | + | ID FL2FF8NS0007 |
| − | KNApSAcK_ID C00014122 | + | KNApSAcK_ID C00014122 |
| − | NAME Dihydroskullcap flavone I;5,2'-Dihydroxy-7,8-dimethoxyflavanone | + | NAME Dihydroskullcap flavone I;5,2'-Dihydroxy-7,8-dimethoxyflavanone |
| − | CAS_RN 600734-63-2 | + | CAS_RN 600734-63-2 |
| − | FORMULA C17H16O6 | + | FORMULA C17H16O6 |
| − | EXACTMASS 316.094688244 | + | EXACTMASS 316.094688244 |
| − | AVERAGEMASS 316.30534 | + | AVERAGEMASS 316.30534 |
| − | SMILES COc(c3)c(OC)c(O1)c(c(O)3)C(=O)CC1c(c2)c(O)ccc2 | + | SMILES COc(c3)c(OC)c(O1)c(c(O)3)C(=O)CC1c(c2)c(O)ccc2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.8761 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8761 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1616 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4472 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4472 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1616 0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2673 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9818 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9818 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2673 0.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7403 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4547 0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1692 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1692 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4547 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7403 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2673 -1.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1616 -1.7866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5465 0.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1616 1.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7944 1.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4547 -0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1692 0.1716 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
9 11 1 6 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
12 22 1 0 0 0 0
19 23 1 0 0 0 0
S SKP 8
ID FL2FF8NS0007
KNApSAcK_ID C00014122
NAME Dihydroskullcap flavone I;5,2'-Dihydroxy-7,8-dimethoxyflavanone
CAS_RN 600734-63-2
FORMULA C17H16O6
EXACTMASS 316.094688244
AVERAGEMASS 316.30534
SMILES COc(c3)c(OC)c(O1)c(c(O)3)C(=O)CC1c(c2)c(O)ccc2
M END
