Mol:FLIC1LNP0011
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 35 0 0 0 0 0 0 0 0999 V2000 | + | 31 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.7638 0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7638 0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7638 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7638 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2075 -0.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2075 -0.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3488 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3488 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3488 0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3488 0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2075 0.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2075 0.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9051 -0.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9051 -0.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4614 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4614 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4614 0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4614 0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9051 0.4924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9051 0.4924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0175 -0.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0175 -0.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0175 -1.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0175 -1.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6123 -1.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6123 -1.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2071 -1.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2071 -1.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2071 -0.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2071 -0.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6123 -0.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6123 -0.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2075 1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2075 1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8603 -1.6912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8603 -1.6912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2639 -1.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2639 -1.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8603 -0.5800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8603 -0.5800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3201 0.4924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3201 0.4924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4233 -1.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4233 -1.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7638 1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7638 1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3201 1.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3201 1.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9098 0.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9098 0.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3201 1.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3201 1.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4992 1.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4992 1.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0886 0.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0886 0.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6769 1.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6769 1.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2639 0.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2639 0.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6769 1.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6769 1.8118 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 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 6 17 1 0 0 0 0 | + | 6 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 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 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 21 1 1 0 0 0 0 | + | 21 1 1 0 0 0 0 |
| − | 12 22 1 0 0 0 0 | + | 12 22 1 0 0 0 0 |
| − | 17 23 2 0 0 0 0 | + | 17 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 21 1 0 0 0 0 | + | 24 21 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIC1LNP0011 | + | ID FLIC1LNP0011 |
| − | KNApSAcK_ID C00009737 | + | KNApSAcK_ID C00009737 |
| − | NAME Nitidulan | + | NAME Nitidulan |
| − | CAS_RN 66446-91-1 | + | CAS_RN 66446-91-1 |
| − | FORMULA C26H28O5 | + | FORMULA C26H28O5 |
| − | EXACTMASS 420.193674006 | + | EXACTMASS 420.193674006 |
| − | AVERAGEMASS 420.49752 | + | AVERAGEMASS 420.49752 |
| − | SMILES Oc(c2)c(C(C5)Cc(c4O5)ccc(c43)OC(C)(CCC=C(C)C)C=C3)cc(c21)OCO1 | + | SMILES Oc(c2)c(C(C5)Cc(c4O5)ccc(c43)OC(C)(CCC=C(C)C)C=C3)cc(c21)OCO1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 35 0 0 0 0 0 0 0 0999 V2000
-0.7638 0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7638 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2075 -0.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3488 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3488 0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2075 0.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9051 -0.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4614 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4614 0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9051 0.4924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0175 -0.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0175 -1.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6123 -1.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2071 -1.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2071 -0.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6123 -0.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2075 1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8603 -1.6912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2639 -1.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8603 -0.5800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3201 0.4924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4233 -1.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7638 1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3201 1.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9098 0.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3201 1.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4992 1.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0886 0.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6769 1.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2639 0.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6769 1.8118 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
1 2 1 0 0 0 0
6 17 1 0 0 0 0
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 15 1 0 0 0 0
21 1 1 0 0 0 0
12 22 1 0 0 0 0
17 23 2 0 0 0 0
23 24 1 0 0 0 0
24 21 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
25 27 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
S SKP 8
ID FLIC1LNP0011
KNApSAcK_ID C00009737
NAME Nitidulan
CAS_RN 66446-91-1
FORMULA C26H28O5
EXACTMASS 420.193674006
AVERAGEMASS 420.49752
SMILES Oc(c2)c(C(C5)Cc(c4O5)ccc(c43)OC(C)(CCC=C(C)C)C=C3)cc(c21)OCO1
M END
