Mol:FLII1LNI0002
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 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5527 0.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5527 0.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5527 -0.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5527 -0.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9964 -0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9964 -0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4401 -0.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4401 -0.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4401 0.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4401 0.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9964 0.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9964 0.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8838 -0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8838 -0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3275 -0.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3275 -0.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2286 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2286 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8820 -1.0201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8820 -1.0201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1088 0.9303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1088 0.9303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2286 -1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2286 -1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8054 -1.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8054 -1.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3821 -1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3821 -1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3821 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3821 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8054 -0.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8054 -0.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9964 -0.9964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9964 -0.9964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3821 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3821 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9585 0.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9585 0.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5336 0.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5336 0.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5336 1.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5336 1.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1088 0.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1088 0.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0936 0.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0936 0.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5393 1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5393 1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2481 -1.5201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2481 -1.5201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1142 -2.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1142 -2.0200 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 7 10 1 0 0 0 0 | + | 7 10 1 0 0 0 0 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 9 12 2 0 0 0 0 | + | 9 12 2 0 0 0 0 |
| − | 12 10 1 0 0 0 0 | + | 12 10 1 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 9 1 0 0 0 0 | + | 16 9 1 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 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 |
| − | 16 23 1 0 0 0 0 | + | 16 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 14 25 1 0 0 0 0 | + | 14 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 27 | + | M SBL 2 1 27 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 27 1.6012 -1.2264 | + | M SVB 2 27 1.6012 -1.2264 |
| − | 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 25 | + | M SBL 1 1 25 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 25 1.0936 0.5577 | + | M SVB 1 25 1.0936 0.5577 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLII1LNI0002 | + | ID FLII1LNI0002 |
| − | KNApSAcK_ID C00010077 | + | KNApSAcK_ID C00010077 |
| − | NAME Gancaonin I | + | NAME Gancaonin I |
| − | CAS_RN 126716-36-7 | + | CAS_RN 126716-36-7 |
| − | FORMULA C21H22O5 | + | FORMULA C21H22O5 |
| − | EXACTMASS 354.146723814 | + | EXACTMASS 354.146723814 |
| − | AVERAGEMASS 354.39638 | + | AVERAGEMASS 354.39638 |
| − | SMILES COc(c(CC=C(C)C)3)cc(o1)c(c3OC)cc(c(c2)c(O)cc(O)c2)1 | + | SMILES COc(c(CC=C(C)C)3)cc(o1)c(c3OC)cc(c(c2)c(O)cc(O)c2)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/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.5527 0.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5527 -0.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9964 -0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4401 -0.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4401 0.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9964 0.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8838 -0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3275 -0.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2286 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8820 -1.0201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1088 0.9303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2286 -1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8054 -1.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3821 -1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3821 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8054 -0.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9964 -0.9964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3821 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9585 0.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5336 0.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5336 1.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1088 0.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0936 0.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5393 1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2481 -1.5201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1142 -2.0200 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 2 0 0 0 0
8 9 1 0 0 0 0
7 10 1 0 0 0 0
1 11 1 0 0 0 0
9 12 2 0 0 0 0
12 10 1 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 9 1 0 0 0 0
3 17 1 0 0 0 0
15 18 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
16 23 1 0 0 0 0
23 24 1 0 0 0 0
14 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 27
M SMT 2 OCH3
M SVB 2 27 1.6012 -1.2264
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 1.0936 0.5577
S SKP 8
ID FLII1LNI0002
KNApSAcK_ID C00010077
NAME Gancaonin I
CAS_RN 126716-36-7
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES COc(c(CC=C(C)C)3)cc(o1)c(c3OC)cc(c(c2)c(O)cc(O)c2)1
M END
