Mol:FLNA2CNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1438 1.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1438 1.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5875 1.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5875 1.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0314 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0314 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0314 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0314 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5454 0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5454 0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1221 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1221 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1221 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1221 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5454 1.7803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5454 1.7803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1436 0.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1436 0.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5875 0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5875 0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5454 -0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5454 -0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0076 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0076 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0076 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0076 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5454 -1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5454 -1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0983 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0983 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0983 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0983 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6984 1.7801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6984 1.7801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6984 0.4848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6984 0.4848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6508 -1.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6508 -1.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1071 -1.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1071 -1.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8216 -2.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8216 -2.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5010 2.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5010 2.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0009 2.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0009 2.9321 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 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 3 1 0 0 0 0 | + | 8 3 1 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 5 11 1 0 0 0 0 | + | 5 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 9 18 1 0 0 0 0 | + | 9 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 -1.501 2.066 | + | M SVB 2 24 -1.501 2.066 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 0.1071 -1.6535 | + | M SVB 1 22 0.1071 -1.6535 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNA2CNS0001 | + | ID FLNA2CNS0001 |
| − | KNApSAcK_ID C00010202 | + | KNApSAcK_ID C00010202 |
| − | NAME Melannein;6,3'-Dihydroxy-7,4'-dimethoxy-4-phenylcoumarin | + | NAME Melannein;6,3'-Dihydroxy-7,4'-dimethoxy-4-phenylcoumarin |
| − | CAS_RN 10386-55-7 | + | CAS_RN 10386-55-7 |
| − | FORMULA C17H14O6 | + | FORMULA C17H14O6 |
| − | EXACTMASS 314.07903818 | + | EXACTMASS 314.07903818 |
| − | AVERAGEMASS 314.28945999999996 | + | AVERAGEMASS 314.28945999999996 |
| − | SMILES COc(c3)c(O)cc(c3)C(=C2)c(c1)c(OC(=O)2)cc(OC)c(O)1 | + | SMILES COc(c3)c(O)cc(c3)C(=C2)c(c1)c(OC(=O)2)cc(OC)c(O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.1438 1.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5875 1.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0314 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0314 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5454 0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1221 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1221 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5454 1.7803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1436 0.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5875 0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5454 -0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0076 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0076 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5454 -1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0983 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0983 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6984 1.7801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6984 0.4848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6508 -1.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1071 -1.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8216 -2.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5010 2.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0009 2.9321 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 7 1 0 0 0 0
7 8 1 0 0 0 0
8 3 1 0 0 0 0
1 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
5 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
9 18 1 0 0 0 0
15 19 1 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 -1.501 2.066
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 0.1071 -1.6535
S SKP 8
ID FLNA2CNS0001
KNApSAcK_ID C00010202
NAME Melannein;6,3'-Dihydroxy-7,4'-dimethoxy-4-phenylcoumarin
CAS_RN 10386-55-7
FORMULA C17H14O6
EXACTMASS 314.07903818
AVERAGEMASS 314.28945999999996
SMILES COc(c3)c(O)cc(c3)C(=C2)c(c1)c(OC(=O)2)cc(OC)c(O)1
M END
