Mol:FL63AAGS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5941 0.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5941 0.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5941 -0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5941 -0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0761 -0.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0761 -0.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5581 -0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5581 -0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5581 0.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5581 0.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0761 0.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0761 0.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0401 -0.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0401 -0.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5221 -0.3943 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.5221 -0.3943 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.5221 0.2038 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.5221 0.2038 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.0401 0.5029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0401 0.5029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0041 0.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0041 0.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5182 0.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5182 0.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0405 0.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0405 0.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0405 1.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0405 1.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5182 1.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5182 1.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0041 1.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0041 1.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5404 1.3946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5404 1.3946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1121 0.5029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1121 0.5029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0041 -0.6934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0041 -0.6934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0761 -1.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0761 -1.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3232 -0.5024 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.3232 -0.5024 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.0550 -0.9670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.0550 -0.9670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.5708 -0.8196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5708 -0.8196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0897 -0.9670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.0897 -0.9670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.3580 -0.5024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.3580 -0.5024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.8422 -0.6498 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.8422 -0.6498 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.8387 -0.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8387 -0.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8791 -0.2266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8791 -0.2266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7862 -0.4269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7862 -0.4269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9449 -1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9449 -1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9235 -2.4852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9235 -2.4852 0.0000 O 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 |
| − | 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 |
| − | 9 11 1 0 0 0 0 | + | 9 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 |
| − | 17 14 1 0 0 0 0 | + | 17 14 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 22 19 1 0 0 0 0 | + | 22 19 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SVB 1 33 2.3976 -0.995 | + | M SVB 1 33 2.3976 -0.995 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL63AAGS0003 | + | ID FL63AAGS0003 |
| − | KNApSAcK_ID C00008832 | + | KNApSAcK_ID C00008832 |
| − | NAME Arthromerin B | + | NAME Arthromerin B |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C21H24O10 | + | FORMULA C21H24O10 |
| − | EXACTMASS 436.136946988 | + | EXACTMASS 436.136946988 |
| − | AVERAGEMASS 436.40926 | + | AVERAGEMASS 436.40926 |
| − | SMILES C([C@@H]1OC(C3c(c4)ccc(O)c4)Cc(c2O3)c(cc(O)c2)O)(O)C(O)[C@@H](O)[C@H](O1)CO | + | SMILES C([C@@H]1OC(C3c(c4)ccc(O)c4)Cc(c2O3)c(cc(O)c2)O)(O)C(O)[C@@H](O)[C@H](O1)CO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-2.5941 0.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5941 -0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0761 -0.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5581 -0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5581 0.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0761 0.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0401 -0.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5221 -0.3943 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.5221 0.2038 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.0401 0.5029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0041 0.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5182 0.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0405 0.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0405 1.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5182 1.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0041 1.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5404 1.3946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1121 0.5029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0041 -0.6934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0761 -1.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3232 -0.5024 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.0550 -0.9670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5708 -0.8196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0897 -0.9670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3580 -0.5024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.8422 -0.6498 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.8387 -0.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8791 -0.2266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7862 -0.4269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9449 -1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9235 -2.4852 0.0000 O 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
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
9 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
17 14 1 0 0 0 0
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
22 19 1 0 0 0 0
25 29 1 0 0 0 0
24 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 CH2OH
M SVB 1 33 2.3976 -0.995
S SKP 8
ID FL63AAGS0003
KNApSAcK_ID C00008832
NAME Arthromerin B
CAS_RN -
FORMULA C21H24O10
EXACTMASS 436.136946988
AVERAGEMASS 436.40926
SMILES C([C@@H]1OC(C3c(c4)ccc(O)c4)Cc(c2O3)c(cc(O)c2)O)(O)C(O)[C@@H](O)[C@H](O1)CO
M END
