Mol:FL2FADNI0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8426 -0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8426 -0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3217 -1.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3217 -1.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8008 -0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8008 -0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8008 -0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8008 -0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3217 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3217 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8426 -0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8426 -0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2800 -1.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2800 -1.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2409 -0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2409 -0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2409 -0.3004 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.2409 -0.3004 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.2800 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2800 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7613 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7613 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2800 -1.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2800 -1.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2957 -0.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2957 -0.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8300 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8300 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8300 0.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8300 0.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2957 0.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2957 0.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7613 0.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7613 0.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3217 -1.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3217 -1.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8300 0.6170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8300 0.6170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3635 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3635 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3217 0.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3217 0.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8421 0.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8421 0.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8421 1.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8421 1.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3625 1.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3625 1.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3217 1.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3217 1.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5624 1.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5624 1.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9883 2.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9883 2.3967 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 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 16 26 1 0 0 0 0 | + | 16 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 1.5624 1.492 | + | M SVB 1 28 1.5624 1.492 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FADNI0004 | + | ID FL2FADNI0004 |
| − | KNApSAcK_ID C00008540 | + | KNApSAcK_ID C00008540 |
| − | NAME Exiguaflavanone K | + | NAME Exiguaflavanone K |
| − | CAS_RN 156281-21-9 | + | CAS_RN 156281-21-9 |
| − | FORMULA C21H22O6 | + | FORMULA C21H22O6 |
| − | EXACTMASS 370.141638436 | + | EXACTMASS 370.141638436 |
| − | AVERAGEMASS 370.39578 | + | AVERAGEMASS 370.39578 |
| − | SMILES c(c1)(C(C3)Oc(c(CC=C(C)C)2)c(C(=O)3)c(cc(O)2)O)cc(c(O)c1)OC | + | SMILES c(c1)(C(C3)Oc(c(CC=C(C)C)2)c(C(=O)3)c(cc(O)2)O)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/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.8426 -0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3217 -1.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8008 -0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8008 -0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3217 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8426 -0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2800 -1.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2409 -0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2409 -0.3004 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.2800 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7613 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2800 -1.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2957 -0.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8300 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8300 0.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2957 0.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7613 0.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3217 -1.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8300 0.6170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3635 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3217 0.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8421 0.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8421 1.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3625 1.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3217 1.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5624 1.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9883 2.3967 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
15 19 1 0 0 0 0
6 20 1 0 0 0 0
5 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
16 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 1.5624 1.492
S SKP 8
ID FL2FADNI0004
KNApSAcK_ID C00008540
NAME Exiguaflavanone K
CAS_RN 156281-21-9
FORMULA C21H22O6
EXACTMASS 370.141638436
AVERAGEMASS 370.39578
SMILES c(c1)(C(C3)Oc(c(CC=C(C)C)2)c(C(=O)3)c(cc(O)2)O)cc(c(O)c1)OC
M END
