Mol:FL1CHYNI0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8952 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8952 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8952 0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8952 0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3389 0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3389 0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7826 0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7826 0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7826 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7826 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3389 1.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3389 1.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2263 0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2263 0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3300 0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3300 0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8861 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8861 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4422 0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4422 0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0032 0.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0032 0.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5642 0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5642 0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5642 0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5642 0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0032 1.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0032 1.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4422 0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4422 0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2263 -0.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2263 -0.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8861 -0.6309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8861 -0.6309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4513 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4513 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4513 -0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4513 -0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0062 -0.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0062 -0.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0062 -1.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0062 -1.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5611 -0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5611 -0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1803 0.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1803 0.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5611 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5611 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1803 1.1789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1803 1.1789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2265 1.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2265 1.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4880 0.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4880 0.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2524 1.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2524 1.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7524 2.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7524 2.4580 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 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 9 17 1 0 0 0 0 | + | 9 17 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 12 23 1 0 0 0 0 | + | 12 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 13 1 0 0 0 0 | + | 25 13 1 0 0 0 0 |
| − | 5 26 1 0 0 0 0 | + | 5 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 1 28 1 0 0 0 0 | + | 1 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 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 28 29 | + | M SAL 2 2 28 29 |
| − | M SBL 2 1 30 | + | M SBL 2 1 30 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 30 -2.2524 1.592 | + | M SVB 2 30 -2.2524 1.592 |
| − | 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 -0.2265 1.2943 | + | M SVB 1 28 -0.2265 1.2943 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CHYNI0006 | + | ID FL1CHYNI0006 |
| − | KNApSAcK_ID C00007013 | + | KNApSAcK_ID C00007013 |
| − | NAME Pongagallone B | + | NAME Pongagallone B |
| − | CAS_RN 107585-62-6 | + | CAS_RN 107585-62-6 |
| − | FORMULA C23H24O6 | + | FORMULA C23H24O6 |
| − | EXACTMASS 396.1572885 | + | EXACTMASS 396.1572885 |
| − | AVERAGEMASS 396.43306 | + | AVERAGEMASS 396.43306 |
| − | SMILES c(c(C(C=C(O)c(c3)cc(O2)c(c3)OC2)=O)1)(OC)cc(OC)c(CC=C(C)C)c1 | + | SMILES c(c(C(C=C(O)c(c3)cc(O2)c(c3)OC2)=O)1)(OC)cc(OC)c(CC=C(C)C)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-1.8952 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8952 0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3389 0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7826 0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7826 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3389 1.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2263 0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3300 0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8861 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4422 0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0032 0.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5642 0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5642 0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0032 1.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4422 0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2263 -0.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8861 -0.6309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4513 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4513 -0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0062 -0.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0062 -1.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5611 -0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1803 0.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5611 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1803 1.1789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2265 1.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4880 0.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2524 1.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7524 2.4580 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 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
7 16 2 0 0 0 0
9 17 1 0 0 0 0
2 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
12 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 13 1 0 0 0 0
5 26 1 0 0 0 0
26 27 1 0 0 0 0
1 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 28 29
M SBL 2 1 30
M SMT 2 OCH3
M SVB 2 30 -2.2524 1.592
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 -0.2265 1.2943
S SKP 8
ID FL1CHYNI0006
KNApSAcK_ID C00007013
NAME Pongagallone B
CAS_RN 107585-62-6
FORMULA C23H24O6
EXACTMASS 396.1572885
AVERAGEMASS 396.43306
SMILES c(c(C(C=C(O)c(c3)cc(O2)c(c3)OC2)=O)1)(OC)cc(OC)c(CC=C(C)C)c1
M END
