Mol:FLID1CNP0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 36 0 0 0 0 0 0 0 0999 V2000 | + | 31 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8008 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8008 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8008 -0.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8008 -0.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2445 -0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2445 -0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3118 -0.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3118 -0.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3118 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3118 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2445 0.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2445 0.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8681 -0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8681 -0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4244 -0.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4244 -0.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4244 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4244 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8681 0.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8681 0.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9805 -0.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9805 -0.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9805 -1.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9805 -1.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5753 -1.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5753 -1.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1701 -1.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1701 -1.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1701 -0.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1701 -0.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5753 -0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5753 -0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8740 -1.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8740 -1.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2445 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2445 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8233 -1.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8233 -1.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2270 -1.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2270 -1.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8233 -0.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8233 -0.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8008 1.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8008 1.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3571 1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3571 1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3571 0.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3571 0.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3571 1.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3571 1.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8911 0.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8911 0.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5218 1.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5218 1.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0910 0.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0910 0.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6590 1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6590 1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2270 0.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2270 0.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6590 1.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6590 1.8298 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 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 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 18 22 2 0 0 0 0 | + | 18 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 1 1 0 0 0 0 | + | 24 1 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID1CNP0005 | + | ID FLID1CNP0005 |
| − | KNApSAcK_ID C00009671 | + | KNApSAcK_ID C00009671 |
| − | NAME Nitiducarpin | + | NAME Nitiducarpin |
| − | CAS_RN 66446-93-3 | + | CAS_RN 66446-93-3 |
| − | FORMULA C26H26O5 | + | FORMULA C26H26O5 |
| − | EXACTMASS 418.178023942 | + | EXACTMASS 418.178023942 |
| − | AVERAGEMASS 418.48163999999997 | + | AVERAGEMASS 418.48163999999997 |
| − | SMILES C(C(C=6)(Oc(c(C6)1)ccc(C25)c(OCC2c(c3O5)cc(O4)c(OC4)c3)1)C)CC=C(C)C | + | SMILES C(C(C=6)(Oc(c(C6)1)ccc(C25)c(OCC2c(c3O5)cc(O4)c(OC4)c3)1)C)CC=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 36 0 0 0 0 0 0 0 0999 V2000
-0.8008 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8008 -0.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2445 -0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3118 -0.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3118 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2445 0.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8681 -0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4244 -0.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4244 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8681 0.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9805 -0.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9805 -1.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5753 -1.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1701 -1.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1701 -0.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5753 -0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8740 -1.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2445 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8233 -1.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2270 -1.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8233 -0.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8008 1.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3571 1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3571 0.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3571 1.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8911 0.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5218 1.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0910 0.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6590 1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2270 0.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6590 1.8298 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
6 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 15 1 0 0 0 0
18 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 1 1 0 0 0 0
23 25 1 0 0 0 0
23 26 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
26 27 1 0 0 0 0
S SKP 8
ID FLID1CNP0005
KNApSAcK_ID C00009671
NAME Nitiducarpin
CAS_RN 66446-93-3
FORMULA C26H26O5
EXACTMASS 418.178023942
AVERAGEMASS 418.48163999999997
SMILES C(C(C=6)(Oc(c(C6)1)ccc(C25)c(OCC2c(c3O5)cc(O4)c(OC4)c3)1)C)CC=C(C)C
M END
