Mol:FLIDBCNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 33 0 0 0 0 0 0 0 0999 V2000 | + | 28 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7267 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7267 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7267 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7267 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1704 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1704 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6141 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6141 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6141 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6141 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1704 1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1704 1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0578 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0578 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4985 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4985 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4985 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4985 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0578 1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0578 1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0546 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0546 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0546 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0546 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6494 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6494 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2442 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2442 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2442 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2442 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6494 0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6494 0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0519 -0.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0519 -0.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2830 1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2830 1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8393 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8393 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8393 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8393 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2830 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2830 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8393 1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8393 1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3011 0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3011 0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8974 -1.1339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8974 -1.1339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3011 -0.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3011 -0.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8974 -0.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8974 -0.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6068 -0.3956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6068 -0.3956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8923 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8923 -0.8081 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 1 0 0 0 0 | + | 20 21 1 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 |
| − | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 15 1 0 0 0 0 | + | 26 15 1 0 0 0 0 |
| − | 3 27 1 0 0 0 0 | + | 3 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 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 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 32 -6.3046 4.4455 | + | M SBV 1 32 -6.3046 4.4455 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDBCNP0001 | + | ID FLIDBCNP0001 |
| − | KNApSAcK_ID C00009662 | + | KNApSAcK_ID C00009662 |
| − | NAME Neorautanin | + | NAME Neorautanin |
| − | CAS_RN 63343-93-1 | + | CAS_RN 63343-93-1 |
| − | FORMULA C22H22O6 | + | FORMULA C22H22O6 |
| − | EXACTMASS 382.141638436 | + | EXACTMASS 382.141638436 |
| − | AVERAGEMASS 382.40648000000004 | + | AVERAGEMASS 382.40648000000004 |
| − | SMILES c(c56)c(c(cc5OCO6)1)OC(c42)C1COc2cc(O3)c(c4OC)CCC3(C)C | + | SMILES c(c56)c(c(cc5OCO6)1)OC(c42)C1COc2cc(O3)c(c4OC)CCC3(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/
28 33 0 0 0 0 0 0 0 0999 V2000
-1.7267 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7267 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1704 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6141 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6141 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1704 1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0578 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4985 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4985 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0578 1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0546 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0546 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6494 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2442 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2442 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6494 0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0519 -0.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2830 1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8393 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8393 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2830 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8393 1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3011 0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8974 -1.1339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3011 -0.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8974 -0.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6068 -0.3956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8923 -0.8081 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 1 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
14 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 15 1 0 0 0 0
3 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 32
M SMT 1 OCH3
M SBV 1 32 -6.3046 4.4455
S SKP 8
ID FLIDBCNP0001
KNApSAcK_ID C00009662
NAME Neorautanin
CAS_RN 63343-93-1
FORMULA C22H22O6
EXACTMASS 382.141638436
AVERAGEMASS 382.40648000000004
SMILES c(c56)c(c(cc5OCO6)1)OC(c42)C1COc2cc(O3)c(c4OC)CCC3(C)C
M END
