Mol:FL4DABNM0001
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 |
| − | -2.8629 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8629 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1494 0.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1494 0.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 -0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 -0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1402 -1.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1402 -1.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4294 -0.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4294 -0.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4331 0.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4331 0.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7113 -1.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7113 -1.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0004 -0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0004 -0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0051 0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0051 0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7204 0.6152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7204 0.6152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7094 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7094 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4248 0.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4248 0.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1383 0.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1383 0.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1333 1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1333 1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4182 1.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4182 1.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7053 1.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7053 1.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7113 -1.8598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7113 -1.8598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1402 -1.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1402 -1.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5773 0.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5773 0.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7149 -1.0300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7149 -1.0300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8478 1.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8478 1.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5773 1.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5773 1.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5073 -1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5073 -1.0082 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 10 6 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 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 3 23 1 0 0 0 0 | + | 3 23 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DABNM0001 | + | ID FL4DABNM0001 |
| − | KNApSAcK_ID C00014378 | + | KNApSAcK_ID C00014378 |
| − | NAME 3,5,7-Trihydroxy-4'-methoxy-6-methylflavanone | + | NAME 3,5,7-Trihydroxy-4'-methoxy-6-methylflavanone |
| − | CAS_RN 163021-15-6 | + | CAS_RN 163021-15-6 |
| − | FORMULA C17H16O6 | + | FORMULA C17H16O6 |
| − | EXACTMASS 316.094688244 | + | EXACTMASS 316.094688244 |
| − | AVERAGEMASS 316.30534 | + | AVERAGEMASS 316.30534 |
| − | SMILES COc(c3)ccc(c3)C(O1)C(O)C(=O)c(c(O)2)c(cc(O)c(C)2)1 | + | SMILES COc(c3)ccc(c3)C(O1)C(O)C(=O)c(c(O)2)c(cc(O)c(C)2)1 |
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
-2.8629 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1494 0.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1402 -1.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4294 -0.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4331 0.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7113 -1.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0004 -0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0051 0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7204 0.6152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7094 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4248 0.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1383 0.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1333 1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4182 1.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7053 1.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7113 -1.8598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1402 -1.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5773 0.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7149 -1.0300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8478 1.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5773 1.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5073 -1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 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 6 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
8 20 1 0 0 0 0
1 19 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
3 23 1 0 0 0 0
S SKP 8
ID FL4DABNM0001
KNApSAcK_ID C00014378
NAME 3,5,7-Trihydroxy-4'-methoxy-6-methylflavanone
CAS_RN 163021-15-6
FORMULA C17H16O6
EXACTMASS 316.094688244
AVERAGEMASS 316.30534
SMILES COc(c3)ccc(c3)C(O1)C(O)C(=O)c(c(O)2)c(cc(O)c(C)2)1
M END
