Mol:FL2FA8NI0004
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 |
| − | -1.5827 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5827 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0618 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0618 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5409 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5409 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5409 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5409 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0618 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0618 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5827 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5827 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0200 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0200 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5009 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5009 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5009 -0.9472 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.5009 -0.9472 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0200 -0.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0200 -0.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0212 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0212 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0200 -2.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0200 -2.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5556 -0.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5556 -0.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0900 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0900 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0900 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0900 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5556 0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5556 0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0212 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0212 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0618 -2.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0618 -2.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0618 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0618 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5827 0.6476 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.5827 0.6476 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.1036 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1036 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5770 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5770 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5827 1.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5827 1.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1030 1.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1030 1.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1030 2.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1030 2.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6234 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6234 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5827 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5827 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9696 0.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9696 0.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4878 0.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4878 0.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6234 -0.9547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6234 -0.9547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4488 -0.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4488 -0.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3148 0.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3148 0.0527 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 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 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 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 17 29 1 0 0 0 0 | + | 17 29 1 0 0 0 0 |
| − | 14 30 1 0 0 0 0 | + | 14 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 -1.9399 -0.3284 | + | M SVB 1 33 -1.9399 -0.3284 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA8NI0004 | + | ID FL2FA8NI0004 |
| − | KNApSAcK_ID C00008534 | + | KNApSAcK_ID C00008534 |
| − | NAME Exiguaflavanone F | + | NAME Exiguaflavanone F |
| − | CAS_RN 149725-19-9 | + | CAS_RN 149725-19-9 |
| − | FORMULA C26H30O6 | + | FORMULA C26H30O6 |
| − | EXACTMASS 438.204238692 | + | EXACTMASS 438.204238692 |
| − | AVERAGEMASS 438.51279999999997 | + | AVERAGEMASS 438.51279999999997 |
| − | SMILES C(C)(=C)C(Cc(c31)c(OC)cc(O)c1C(=O)CC(O3)c(c(O)2)cc(O)cc2)CC=C(C)C | + | SMILES C(C)(=C)C(Cc(c31)c(OC)cc(O)c1C(=O)CC(O3)c(c(O)2)cc(O)cc2)CC=C(C)C |
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
-1.5827 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0618 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5409 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5409 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0618 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5827 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0200 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5009 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5009 -0.9472 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0200 -0.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0212 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0200 -2.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5556 -0.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0900 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0900 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5556 0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0212 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0618 -2.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0618 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5827 0.6476 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.1036 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5770 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5827 1.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1030 1.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1030 2.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6234 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5827 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9696 0.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4878 0.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6234 -0.9547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4488 -0.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3148 0.0527 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
5 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
20 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
21 28 1 0 0 0 0
17 29 1 0 0 0 0
14 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 -1.9399 -0.3284
S SKP 8
ID FL2FA8NI0004
KNApSAcK_ID C00008534
NAME Exiguaflavanone F
CAS_RN 149725-19-9
FORMULA C26H30O6
EXACTMASS 438.204238692
AVERAGEMASS 438.51279999999997
SMILES C(C)(=C)C(Cc(c31)c(OC)cc(O)c1C(=O)CC(O3)c(c(O)2)cc(O)cc2)CC=C(C)C
M END
