Mol:FL2FALNI0026
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.6026 -0.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6026 -0.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0817 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0817 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5608 -0.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5608 -0.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5608 -0.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5608 -0.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0817 -0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0817 -0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6026 -0.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6026 -0.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0399 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0399 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5191 -0.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5191 -0.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5191 -0.3380 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.5191 -0.3380 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.0399 -0.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0399 -0.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0013 -0.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0013 -0.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0399 -1.7641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0399 -1.7641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5357 -0.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5357 -0.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0700 -0.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0700 -0.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0700 0.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0700 0.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5357 0.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5357 0.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0013 0.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0013 0.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0817 -1.8411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0817 -1.8411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5321 0.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5321 0.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0817 0.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0817 0.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6026 0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6026 0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6026 1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6026 1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2015 1.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2015 1.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0036 1.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0036 1.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6035 0.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6035 0.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6035 -0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6035 -0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1370 -0.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1370 -0.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6693 -0.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6693 -0.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2015 -0.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2015 -0.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6693 -0.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6693 -0.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9598 0.2808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9598 0.2808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4597 1.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4597 1.1469 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 15 25 1 0 0 0 0 | + | 15 25 1 0 0 0 0 |
| − | 14 26 1 0 0 0 0 | + | 14 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 6 31 1 0 0 0 0 | + | 6 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 33 -2.9598 0.2808 | + | M SVB 1 33 -2.9598 0.2808 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNI0026 | + | ID FL2FALNI0026 |
| − | KNApSAcK_ID C00008543 | + | KNApSAcK_ID C00008543 |
| − | NAME Maackiaflavanone | + | NAME Maackiaflavanone |
| − | CAS_RN 156162-10-6 | + | CAS_RN 156162-10-6 |
| − | FORMULA C26H30O6 | + | FORMULA C26H30O6 |
| − | EXACTMASS 438.204238692 | + | EXACTMASS 438.204238692 |
| − | AVERAGEMASS 438.51279999999997 | + | AVERAGEMASS 438.51279999999997 |
| − | SMILES O=C(c12)CC(c(c3)c(O)cc(c(CC=C(C)C)3)O)Oc1c(CC=C(C)C)c(cc2O)OC | + | SMILES O=C(c12)CC(c(c3)c(O)cc(c(CC=C(C)C)3)O)Oc1c(CC=C(C)C)c(cc2O)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-2.6026 -0.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0817 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5608 -0.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5608 -0.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0817 -0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6026 -0.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0399 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5191 -0.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5191 -0.3380 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.0399 -0.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0013 -0.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0399 -1.7641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5357 -0.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0700 -0.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0700 0.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5357 0.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0013 0.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0817 -1.8411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5321 0.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0817 0.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6026 0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6026 1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2015 1.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0036 1.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6035 0.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6035 -0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1370 -0.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6693 -0.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2015 -0.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6693 -0.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9598 0.2808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4597 1.1469 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
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 11 1 0 0 0 0
2 18 1 0 0 0 0
17 19 1 0 0 0 0
5 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
15 25 1 0 0 0 0
14 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
6 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 33
M SMT 1 OCH3
M SVB 1 33 -2.9598 0.2808
S SKP 8
ID FL2FALNI0026
KNApSAcK_ID C00008543
NAME Maackiaflavanone
CAS_RN 156162-10-6
FORMULA C26H30O6
EXACTMASS 438.204238692
AVERAGEMASS 438.51279999999997
SMILES O=C(c12)CC(c(c3)c(O)cc(c(CC=C(C)C)3)O)Oc1c(CC=C(C)C)c(cc2O)OC
M END
