Mol:FLIF1LNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2828 0.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2828 0.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2828 0.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2828 0.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7265 0.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7265 0.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1702 0.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1702 0.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1702 0.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1702 0.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7265 1.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7265 1.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6139 0.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6139 0.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0576 0.3371 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.0576 0.3371 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0576 0.9795 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.0576 0.9795 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.6139 1.3006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6139 1.3006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4985 0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4985 0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4985 -0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4985 -0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0933 -1.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0933 -1.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6880 -0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6880 -0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6880 0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6880 0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0933 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0933 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6139 -0.6262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6139 -0.6262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1203 0.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1203 0.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4987 1.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4987 1.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6880 -0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6880 -0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6880 -0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6880 -0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6401 1.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6401 1.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1402 2.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1402 2.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6759 -1.1857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6759 -1.1857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3904 -1.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3904 -1.5982 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 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 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 9 1 0 0 0 0 | + | 19 9 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 |
| − | 13 24 1 0 0 0 0 | + | 13 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 24 25 | + | M SAL 3 2 24 25 |
| − | M SBL 3 1 27 | + | M SBL 3 1 27 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 27 0.6759 -1.1857 | + | M SVB 3 27 0.6759 -1.1857 |
| − | 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 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 25 -2.6401 1.5982 | + | M SVB 2 25 -2.6401 1.5982 |
| − | 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 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 1.9256 -0.877 | + | M SVB 1 23 1.9256 -0.877 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIF1LNS0001 | + | ID FLIF1LNS0001 |
| − | KNApSAcK_ID C00009566 | + | KNApSAcK_ID C00009566 |
| − | NAME Munduserone | + | NAME Munduserone |
| − | CAS_RN 3564-85-0 | + | CAS_RN 3564-85-0 |
| − | FORMULA C19H18O6 | + | FORMULA C19H18O6 |
| − | EXACTMASS 342.110338308 | + | EXACTMASS 342.110338308 |
| − | AVERAGEMASS 342.34262 | + | AVERAGEMASS 342.34262 |
| − | SMILES c(c4OC)(OC)cc(c(c4)1)OCC(O3)C(C(c(c32)ccc(OC)c2)=O)1 | + | SMILES c(c4OC)(OC)cc(c(c4)1)OCC(O3)C(C(c(c32)ccc(OC)c2)=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/
25 28 0 0 0 0 0 0 0 0999 V2000
-2.2828 0.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2828 0.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7265 0.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1702 0.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1702 0.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7265 1.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6139 0.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0576 0.3371 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0576 0.9795 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.6139 1.3006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4985 0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4985 -0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0933 -1.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6880 -0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6880 0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0933 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6139 -0.6262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1203 0.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4987 1.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6880 -0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6880 -0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6401 1.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1402 2.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6759 -1.1857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3904 -1.5982 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 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 2 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
19 9 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
13 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 27
M SMT 3 OCH3
M SVB 3 27 0.6759 -1.1857
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 -2.6401 1.5982
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 1.9256 -0.877
S SKP 8
ID FLIF1LNS0001
KNApSAcK_ID C00009566
NAME Munduserone
CAS_RN 3564-85-0
FORMULA C19H18O6
EXACTMASS 342.110338308
AVERAGEMASS 342.34262
SMILES c(c4OC)(OC)cc(c(c4)1)OCC(O3)C(C(c(c32)ccc(OC)c2)=O)1
M END
