Mol:FLID1CNP0004
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 32 0 0 0 0 0 0 0 0999 V2000 | + | 27 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6795 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1232 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1232 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5669 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5669 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5669 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5669 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1232 1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1232 1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0106 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0106 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5457 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5457 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5457 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5457 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0106 1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0106 1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1018 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1018 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1018 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1018 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6966 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6966 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2913 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2913 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2913 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2913 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6966 0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6966 0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0048 -0.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0048 -0.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2358 1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2358 1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7921 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7921 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7921 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7921 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2358 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2358 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7921 1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7921 1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2539 0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2539 0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9445 -1.1339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9445 -1.1339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3482 -0.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3482 -0.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9445 -0.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9445 -0.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3482 -0.2349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3482 -0.2349 0.0000 O 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 |
| − | 20 27 1 0 0 0 0 | + | 20 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID1CNP0004 | + | ID FLID1CNP0004 |
| − | KNApSAcK_ID C00009658 | + | KNApSAcK_ID C00009658 |
| − | NAME Neorautanol | + | NAME Neorautanol |
| − | CAS_RN 76165-13-4 | + | CAS_RN 76165-13-4 |
| − | FORMULA C21H20O6 | + | FORMULA C21H20O6 |
| − | EXACTMASS 368.125988372 | + | EXACTMASS 368.125988372 |
| − | AVERAGEMASS 368.37989999999996 | + | AVERAGEMASS 368.37989999999996 |
| − | SMILES c(c32)c(c1cc2OCC(c45)C3Oc4cc(O6)c(OC6)c5)CC(C(C)(C)O1)O | + | SMILES c(c32)c(c1cc2OCC(c45)C3Oc4cc(O6)c(OC6)c5)CC(C(C)(C)O1)O |
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 32 0 0 0 0 0 0 0 0999 V2000
-1.6795 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1232 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5669 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5669 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1232 1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0106 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5457 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5457 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0106 1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1018 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1018 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6966 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2913 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2913 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6966 0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0048 -0.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2358 1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7921 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7921 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2358 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7921 1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2539 0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9445 -1.1339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3482 -0.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9445 -0.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3482 -0.2349 0.0000 O 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
20 27 1 0 0 0 0
S SKP 8
ID FLID1CNP0004
KNApSAcK_ID C00009658
NAME Neorautanol
CAS_RN 76165-13-4
FORMULA C21H20O6
EXACTMASS 368.125988372
AVERAGEMASS 368.37989999999996
SMILES c(c32)c(c1cc2OCC(c45)C3Oc4cc(O6)c(OC6)c5)CC(C(C)(C)O1)O
M END
