Mol:FL2FA8NS0002
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 |
| − | -1.6795 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1232 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1232 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5669 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5669 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5669 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5669 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1232 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1232 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0106 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0106 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5457 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5457 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5457 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5457 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0106 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0106 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1018 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1018 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6688 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6688 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2358 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2358 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2358 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2358 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6688 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6688 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1018 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1018 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0106 -1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0106 -1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5350 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5350 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2358 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2358 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6688 -0.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6688 -0.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5596 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5596 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8451 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8451 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 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 |
| − | 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 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 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
| − | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 23 -8.7324 5.2775 | + | M SBV 1 23 -8.7324 5.2775 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA8NS0002 | + | ID FL2FA8NS0002 |
| − | KNApSAcK_ID C00008339 | + | KNApSAcK_ID C00008339 |
| − | NAME 7,2',6'-Trihydroxy-5-methoxyflavanone | + | NAME 7,2',6'-Trihydroxy-5-methoxyflavanone |
| − | CAS_RN 92519-96-5 | + | CAS_RN 92519-96-5 |
| − | FORMULA C16H14O6 | + | FORMULA C16H14O6 |
| − | EXACTMASS 302.07903818 | + | EXACTMASS 302.07903818 |
| − | AVERAGEMASS 302.27876000000003 | + | AVERAGEMASS 302.27876000000003 |
| − | SMILES COc(c3)c(C(=O)2)c(cc(O)3)OC(C2)c(c(O)1)c(O)ccc1 | + | SMILES COc(c3)c(C(=O)2)c(cc(O)3)OC(C2)c(c(O)1)c(O)ccc1 |
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
-1.6795 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1232 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5669 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5669 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1232 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0106 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5457 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5457 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0106 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1018 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6688 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2358 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2358 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6688 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1018 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0106 -1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5350 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2358 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6688 -0.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5596 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8451 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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 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
16 18 1 0 0 0 0
19 1 1 0 0 0 0
12 20 1 0 0 0 0
3 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SBV 1 23 -8.7324 5.2775
S SKP 8
ID FL2FA8NS0002
KNApSAcK_ID C00008339
NAME 7,2',6'-Trihydroxy-5-methoxyflavanone
CAS_RN 92519-96-5
FORMULA C16H14O6
EXACTMASS 302.07903818
AVERAGEMASS 302.27876000000003
SMILES COc(c3)c(C(=O)2)c(cc(O)3)OC(C2)c(c(O)1)c(O)ccc1
M END
