Mol:FL1CHYNI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 27 0 0 0 0 0 0 0 0999 V2000 | + | 26 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3960 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3960 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3960 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3960 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8397 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8397 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2834 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2834 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2834 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2834 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8397 1.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8397 1.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2729 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2729 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8292 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8292 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9414 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9414 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5024 0.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5024 0.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0634 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0634 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0634 0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0634 0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5024 1.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5024 1.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9414 0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9414 0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2729 -0.4905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2729 -0.4905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 -0.6298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 -0.6298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9523 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9523 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9523 -0.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9523 -0.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5084 -0.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5084 -0.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0634 -0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0634 -0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5084 -1.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5084 -1.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7533 1.5931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7533 1.5931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2534 2.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2534 2.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2727 1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2727 1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9871 0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9871 0.8829 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 |
| − | 18 2 1 0 0 0 0 | + | 18 2 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 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 5 25 1 0 0 0 0 | + | 5 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 2 2 25 26 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 26 0.2727 1.2954 | + | M SVB 2 26 0.2727 1.2954 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 23 24 | + | M SAL 1 2 23 24 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 -1.7533 1.5931 | + | M SVB 1 24 -1.7533 1.5931 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CHYNI0001 | + | ID FL1CHYNI0001 |
| − | KNApSAcK_ID C00007003 | + | KNApSAcK_ID C00007003 |
| − | NAME Pongagallone A | + | NAME Pongagallone A |
| − | CAS_RN 107585-61-5 | + | CAS_RN 107585-61-5 |
| − | FORMULA C22H24O4 | + | FORMULA C22H24O4 |
| − | EXACTMASS 352.167459256 | + | EXACTMASS 352.167459256 |
| − | AVERAGEMASS 352.42356 | + | AVERAGEMASS 352.42356 |
| − | SMILES c(c(C(=O)C=C(c(c2)cccc2)O)1)(OC)cc(OC)c(CC=C(C)C)c1 | + | SMILES c(c(C(=O)C=C(c(c2)cccc2)O)1)(OC)cc(OC)c(CC=C(C)C)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 27 0 0 0 0 0 0 0 0999 V2000
-1.3960 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3960 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8397 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2834 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2834 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8397 1.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2729 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8292 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9414 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5024 0.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0634 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0634 0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5024 1.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9414 0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2729 -0.4905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 -0.6298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9523 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9523 -0.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5084 -0.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0634 -0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5084 -1.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7533 1.5931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2534 2.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2727 1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9871 0.8829 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
18 2 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
1 23 1 0 0 0 0
23 24 1 0 0 0 0
5 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 25 26
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 0.2727 1.2954
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 -1.7533 1.5931
S SKP 8
ID FL1CHYNI0001
KNApSAcK_ID C00007003
NAME Pongagallone A
CAS_RN 107585-61-5
FORMULA C22H24O4
EXACTMASS 352.167459256
AVERAGEMASS 352.42356
SMILES c(c(C(=O)C=C(c(c2)cccc2)O)1)(OC)cc(OC)c(CC=C(C)C)c1
M END
