Mol:FL2FALNI0023
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 36 0 0 0 0 0 0 0 0999 V2000 | + | 34 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7613 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7613 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2404 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2404 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7195 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7195 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7195 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7195 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2404 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2404 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7613 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7613 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1986 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1986 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3222 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3222 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3222 -0.9472 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.3222 -0.9472 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.1986 -0.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1986 -0.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8426 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8426 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1986 -2.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1986 -2.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3770 -0.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3770 -0.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9113 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9113 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9113 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9113 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3770 0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3770 0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8426 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8426 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2404 -2.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2404 -2.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2404 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2404 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7613 0.6476 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.7613 0.6476 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.2822 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2822 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4457 0.2788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4457 0.2788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7556 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7556 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7613 1.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7613 1.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2817 1.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2817 1.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2817 2.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2817 2.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8020 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8020 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7613 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7613 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1482 0.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1482 0.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3091 0.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3091 0.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7773 -1.1467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7773 -1.1467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6434 -1.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6434 -1.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6274 -0.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6274 -0.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4934 0.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4934 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 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 21 23 2 0 0 0 0 | + | 21 23 2 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 17 30 1 0 0 0 0 | + | 17 30 1 0 0 0 0 |
| − | 14 31 1 0 0 0 0 | + | 14 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 6 33 1 0 0 0 0 | + | 6 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 33 34 | + | M SAL 2 2 33 34 |
| − | M SBL 2 1 35 | + | M SBL 2 1 35 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 35 -2.1185 -0.3284 | + | M SVB 2 35 -2.1185 -0.3284 |
| − | 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 2.0876 -0.853 | + | M SVB 1 33 2.0876 -0.853 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNI0023 | + | ID FL2FALNI0023 |
| − | KNApSAcK_ID C00008533 | + | KNApSAcK_ID C00008533 |
| − | NAME Exiguaflavanone E | + | NAME Exiguaflavanone E |
| − | CAS_RN 149725-18-8 | + | CAS_RN 149725-18-8 |
| − | FORMULA C27H32O7 | + | FORMULA C27H32O7 |
| − | EXACTMASS 468.214803378 | + | EXACTMASS 468.214803378 |
| − | AVERAGEMASS 468.53878 | + | AVERAGEMASS 468.53878 |
| − | SMILES C(C3=O)C(Oc(c32)c(CC(C(C)=C)CC=C(C)C)c(cc(O)2)OC)c(c1O)cc(c(O)c1)OC | + | SMILES C(C3=O)C(Oc(c32)c(CC(C(C)=C)CC=C(C)C)c(cc(O)2)OC)c(c1O)cc(c(O)c1)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 36 0 0 0 0 0 0 0 0999 V2000
-1.7613 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2404 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7195 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7195 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2404 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7613 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1986 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3222 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3222 -0.9472 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.1986 -0.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8426 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1986 -2.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3770 -0.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9113 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9113 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3770 0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8426 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2404 -2.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2404 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7613 0.6476 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.2822 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4457 0.2788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7556 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7613 1.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2817 1.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2817 2.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8020 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7613 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1482 0.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3091 0.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7773 -1.1467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6434 -1.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6274 -0.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4934 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
15 22 1 0 0 0 0
21 23 2 0 0 0 0
20 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
21 29 1 0 0 0 0
17 30 1 0 0 0 0
14 31 1 0 0 0 0
31 32 1 0 0 0 0
6 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 35
M SMT 2 OCH3
M SVB 2 35 -2.1185 -0.3284
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 2.0876 -0.853
S SKP 8
ID FL2FALNI0023
KNApSAcK_ID C00008533
NAME Exiguaflavanone E
CAS_RN 149725-18-8
FORMULA C27H32O7
EXACTMASS 468.214803378
AVERAGEMASS 468.53878
SMILES C(C3=O)C(Oc(c32)c(CC(C(C)=C)CC=C(C)C)c(cc(O)2)OC)c(c1O)cc(c(O)c1)OC
M END
