Mol:FLIDBBNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 31 0 0 0 0 0 0 0 0999 V2000 | + | 27 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6740 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6740 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6740 0.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6740 0.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1177 -0.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1177 -0.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5614 0.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5614 0.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5614 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5614 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1177 1.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1177 1.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0051 -0.0974 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.0051 -0.0974 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.5512 0.2238 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.5512 0.2238 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.5512 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5512 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0051 1.1874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0051 1.1874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1073 -0.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1073 -0.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1073 -0.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1073 -0.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7021 -1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7021 -1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2969 -0.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2969 -0.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2969 -0.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2969 -0.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7021 0.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7021 0.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0008 -0.7838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0008 -0.7838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2303 1.1874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2303 1.1874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7866 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7866 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7866 0.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7866 0.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2303 -0.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2303 -0.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7866 1.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7866 1.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2483 0.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2483 0.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5541 -0.2579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5541 -0.2579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8396 -0.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8396 -0.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1629 -1.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1629 -1.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0290 -1.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0290 -1.7840 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 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 2 1 0 0 0 0 | + | 21 2 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 3 24 1 0 0 0 0 | + | 3 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 14 26 1 0 0 0 0 | + | 14 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 2 2 26 27 |
| − | M SBL 2 1 30 | + | M SBL 2 1 30 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 30 2.5339 -0.9903 | + | M SVB 2 30 2.5339 -0.9903 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 -1.5541 -0.2579 | + | M SVB 1 28 -1.5541 -0.2579 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDBBNP0001 | + | ID FLIDBBNP0001 |
| − | KNApSAcK_ID C00009657 | + | KNApSAcK_ID C00009657 |
| − | NAME Edulenane;Edulaan | + | NAME Edulenane;Edulaan |
| − | CAS_RN 53734-77-3 | + | CAS_RN 53734-77-3 |
| − | FORMULA C22H22O5 | + | FORMULA C22H22O5 |
| − | EXACTMASS 366.146723814 | + | EXACTMASS 366.146723814 |
| − | AVERAGEMASS 366.40708000000006 | + | AVERAGEMASS 366.40708000000006 |
| − | SMILES c(c5)c(C41)c(cc5OC)OC1c(c2OC)c(OC4)cc(O3)c2C=CC3(C)C | + | SMILES c(c5)c(C41)c(cc5OC)OC1c(c2OC)c(OC4)cc(O3)c2C=CC3(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 31 0 0 0 0 0 0 0 0999 V2000
-1.6740 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6740 0.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1177 -0.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5614 0.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5614 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1177 1.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0051 -0.0974 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5512 0.2238 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5512 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0051 1.1874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1073 -0.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1073 -0.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7021 -1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2969 -0.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2969 -0.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7021 0.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0008 -0.7838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2303 1.1874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7866 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7866 0.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2303 -0.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7866 1.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2483 0.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5541 -0.2579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8396 -0.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1629 -1.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0290 -1.7840 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
12 17 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 2 1 0 0 0 0
19 22 1 0 0 0 0
19 23 1 0 0 0 0
3 24 1 0 0 0 0
24 25 1 0 0 0 0
14 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 30
M SMT 2 OCH3
M SVB 2 30 2.5339 -0.9903
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 -1.5541 -0.2579
S SKP 8
ID FLIDBBNP0001
KNApSAcK_ID C00009657
NAME Edulenane;Edulaan
CAS_RN 53734-77-3
FORMULA C22H22O5
EXACTMASS 366.146723814
AVERAGEMASS 366.40708000000006
SMILES c(c5)c(C41)c(cc5OC)OC1c(c2OC)c(OC4)cc(O3)c2C=CC3(C)C
M END
