Mol:FLIB1LNS0001
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 26 0 0 0 0 0 0 0 0999 V2000 | + | 23 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.6802 -0.8015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6802 -0.8015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6802 -0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6802 -0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0806 0.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0806 0.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1173 0.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1173 0.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6839 1.1067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6839 1.1067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2194 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2194 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8544 1.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8544 1.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4894 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4894 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4894 0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4894 0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8544 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8544 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2194 0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2194 0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8440 0.9546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8440 0.9546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6850 -0.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6850 -0.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6850 -0.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6850 -0.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2567 -1.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2567 -1.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8283 -0.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8283 -0.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8283 -0.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8283 -0.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2567 0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2567 0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4560 -0.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4560 -0.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8440 -0.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8440 -0.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4560 0.0775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4560 0.0775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2222 -1.0537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2222 -1.0537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5936 0.4679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5936 0.4679 0.0000 H 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 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 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 6 1 0 0 0 0 | + | 11 6 1 0 0 0 0 |
| − | 8 12 1 0 0 0 0 | + | 8 12 1 0 0 0 0 |
| − | 11 2 1 0 0 0 0 | + | 11 2 1 0 0 0 0 |
| − | 3 13 1 1 0 0 0 | + | 3 13 1 1 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 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 17 1 0 0 0 0 | + | 21 17 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 3 23 1 6 0 0 0 | + | 3 23 1 6 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIB1LNS0001 | + | ID FLIB1LNS0001 |
| − | KNApSAcK_ID C00000650 | + | KNApSAcK_ID C00000650 |
| − | NAME (3R)-Sophorol;(-)-Sophorol | + | NAME (3R)-Sophorol;(-)-Sophorol |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C16H12O6 | + | FORMULA C16H12O6 |
| − | EXACTMASS 300.063388116 | + | EXACTMASS 300.063388116 |
| − | AVERAGEMASS 300.26288 | + | AVERAGEMASS 300.26288 |
| − | SMILES Oc(c4)cc(O3)c(c4)C(=O)C([H])(C3)c(c1)c(O)cc(O2)c(OC2)1 | + | SMILES Oc(c4)cc(O3)c(c4)C(=O)C([H])(C3)c(c1)c(O)cc(O2)c(OC2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 26 0 0 0 0 0 0 0 0999 V2000
-0.6802 -0.8015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6802 -0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0806 0.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1173 0.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6839 1.1067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2194 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8544 1.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4894 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4894 0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8544 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2194 0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8440 0.9546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6850 -0.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6850 -0.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2567 -1.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8283 -0.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8283 -0.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2567 0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4560 -0.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8440 -0.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4560 0.0775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2222 -1.0537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5936 0.4679 0.0000 H 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
4 3 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 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 6 1 0 0 0 0
8 12 1 0 0 0 0
11 2 1 0 0 0 0
3 13 1 1 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
16 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 17 1 0 0 0 0
14 22 1 0 0 0 0
3 23 1 6 0 0 0
S SKP 8
ID FLIB1LNS0001
KNApSAcK_ID C00000650
NAME (3R)-Sophorol;(-)-Sophorol
CAS_RN -
FORMULA C16H12O6
EXACTMASS 300.063388116
AVERAGEMASS 300.26288
SMILES Oc(c4)cc(O3)c(c4)C(=O)C([H])(C3)c(c1)c(O)cc(O2)c(OC2)1
M END
