Mol:FLID3CNS0002
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 27 0 0 0 0 0 0 0 0999 V2000 | + | 23 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2357 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2357 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2357 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2357 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6794 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6794 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1231 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1231 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1231 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1231 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6794 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6794 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5668 -0.4138 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.5668 -0.4138 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0105 -0.0927 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.0105 -0.0927 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0105 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0105 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5668 0.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5668 0.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5456 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5456 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5456 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5456 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1404 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1404 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7352 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7352 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7352 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7352 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1404 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1404 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5610 -1.1003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5610 -1.1003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7920 0.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7920 0.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3883 -1.3128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3883 -1.3128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7920 -0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7920 -0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3883 -0.2015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3883 -0.2015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4014 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4014 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9649 2.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9649 2.3436 0.0000 C 0 0 0 0 0 0 0 0 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 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 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 26 -1.4014 1.4439 | + | M SVB 1 26 -1.4014 1.4439 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID3CNS0002 | + | ID FLID3CNS0002 |
| − | KNApSAcK_ID C00009623 | + | KNApSAcK_ID C00009623 |
| − | NAME 4-Methoxymaackiain | + | NAME 4-Methoxymaackiain |
| − | CAS_RN 2694-69-1 | + | CAS_RN 2694-69-1 |
| − | FORMULA C17H14O6 | + | FORMULA C17H14O6 |
| − | EXACTMASS 314.07903818 | + | EXACTMASS 314.07903818 |
| − | AVERAGEMASS 314.28945999999996 | + | AVERAGEMASS 314.28945999999996 |
| − | SMILES COc(c(O)5)c(O4)c(cc5)C(O1)C(C4)c(c2)c(cc(O3)c(OC3)2)1 | + | SMILES COc(c(O)5)c(O4)c(cc5)C(O1)C(C4)c(c2)c(cc(O3)c(OC3)2)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 27 0 0 0 0 0 0 0 0999 V2000
-2.2357 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2357 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6794 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1231 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1231 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6794 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5668 -0.4138 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0105 -0.0927 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0105 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5668 0.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1404 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7352 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7352 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1404 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5610 -1.1003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7920 0.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3883 -1.3128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7920 -0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3883 -0.2015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4014 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9649 2.3436 0.0000 C 0 0 0 0 0 0 0 0 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 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 16 1 0 0 0 0
16 11 2 0 0 0 0
7 17 1 0 0 0 0
1 2 1 0 0 0 0
18 1 1 0 0 0 0
12 17 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 15 1 0 0 0 0
6 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 26
M SMT 1 OCH3
M SVB 1 26 -1.4014 1.4439
S SKP 8
ID FLID3CNS0002
KNApSAcK_ID C00009623
NAME 4-Methoxymaackiain
CAS_RN 2694-69-1
FORMULA C17H14O6
EXACTMASS 314.07903818
AVERAGEMASS 314.28945999999996
SMILES COc(c(O)5)c(O4)c(cc5)C(O1)C(C4)c(c2)c(cc(O3)c(OC3)2)1
M END
