Mol:FL2FG9NS0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1875 0.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1875 0.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1875 -0.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1875 -0.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4730 -0.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4730 -0.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7585 -0.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7585 -0.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7585 0.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7585 0.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4730 0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4730 0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0441 -0.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0441 -0.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6704 -0.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6704 -0.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6704 0.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6704 0.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0441 0.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0441 0.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 0.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 0.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 0.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 0.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 0.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 0.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 1.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 1.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 1.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 1.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 1.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 1.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0441 -1.6588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0441 -1.6588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4730 -1.6259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4730 -1.6259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 0.6918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 0.6918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0865 -1.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0865 -1.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8458 -0.9003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8458 -0.9003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4730 1.3610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4730 1.3610 0.0000 O 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 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FG9NS0006 | + | ID FL2FG9NS0006 |
| − | KNApSAcK_ID C00014119 | + | KNApSAcK_ID C00014119 |
| − | NAME Oresbiusin;6,7,8-Trihydroxy-5-methoxyflavanone | + | NAME Oresbiusin;6,7,8-Trihydroxy-5-methoxyflavanone |
| − | CAS_RN 178275-97-3 | + | CAS_RN 178275-97-3 |
| − | FORMULA C16H14O6 | + | FORMULA C16H14O6 |
| − | EXACTMASS 302.07903818 | + | EXACTMASS 302.07903818 |
| − | AVERAGEMASS 302.27876000000003 | + | AVERAGEMASS 302.27876000000003 |
| − | SMILES COc(c(O)1)c(C(=O)3)c(OC(C3)c(c2)cccc2)c(O)c(O)1 | + | SMILES COc(c(O)1)c(C(=O)3)c(OC(C3)c(c2)cccc2)c(O)c(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-2.1875 0.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1875 -0.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4730 -0.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7585 -0.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7585 0.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4730 0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0441 -0.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6704 -0.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6704 0.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0441 0.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 1.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 1.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0441 -1.6588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4730 -1.6259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 0.6918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0865 -1.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8458 -0.9003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4730 1.3610 0.0000 O 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
18 20 1 0 0 0 0
2 21 1 0 0 0 0
6 22 1 0 0 0 0
S SKP 8
ID FL2FG9NS0006
KNApSAcK_ID C00014119
NAME Oresbiusin;6,7,8-Trihydroxy-5-methoxyflavanone
CAS_RN 178275-97-3
FORMULA C16H14O6
EXACTMASS 302.07903818
AVERAGEMASS 302.27876000000003
SMILES COc(c(O)1)c(C(=O)3)c(OC(C3)c(c2)cccc2)c(O)c(O)1
M END
