Mol:FLID1ANI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1830 1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1830 1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1830 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1830 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6267 0.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6267 0.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0704 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0704 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0704 1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0704 1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6267 2.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6267 2.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5141 0.9001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.5141 0.9001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0422 1.2213 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.0422 1.2213 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0422 1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0422 1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5141 2.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5141 2.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5983 0.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5983 0.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5983 0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5983 0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1931 -0.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1931 -0.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7879 0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7879 0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7879 0.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7879 0.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1931 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1931 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5083 0.2137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5083 0.2137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7393 2.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7393 2.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1931 -0.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1931 -0.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7861 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7861 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7861 -1.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7861 -1.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1943 -2.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1943 -2.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3779 -2.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3779 -2.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7879 0.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7879 0.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7879 0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7879 0.2135 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 |
| − | 13 19 1 0 0 0 0 | + | 13 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 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 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 |
| − | 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 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 2.0248 0.0072 | + | M SVB 1 27 2.0248 0.0072 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID1ANI0003 | + | ID FLID1ANI0003 |
| − | KNApSAcK_ID C00009644 | + | KNApSAcK_ID C00009644 |
| − | NAME Sandwicensin;3-Hydroxy-9-methoxy-10-prenylpterocarpan | + | NAME Sandwicensin;3-Hydroxy-9-methoxy-10-prenylpterocarpan |
| − | CAS_RN 74515-46-1 | + | CAS_RN 74515-46-1 |
| − | FORMULA C21H22O4 | + | FORMULA C21H22O4 |
| − | EXACTMASS 338.151809192 | + | EXACTMASS 338.151809192 |
| − | AVERAGEMASS 338.39698 | + | AVERAGEMASS 338.39698 |
| − | SMILES c(C24)(c(OC2c(c3OC4)ccc(O)c3)1)ccc(c1CC=C(C)C)OC | + | SMILES c(C24)(c(OC2c(c3OC4)ccc(O)c3)1)ccc(c1CC=C(C)C)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-2.1830 1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1830 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6267 0.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0704 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0704 1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6267 2.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5141 0.9001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0422 1.2213 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0422 1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5141 2.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5983 0.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5983 0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1931 -0.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 0.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1931 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5083 0.2137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7393 2.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1931 -0.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7861 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7861 -1.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1943 -2.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3779 -2.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7879 0.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7879 0.2135 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
13 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 2.0248 0.0072
S SKP 8
ID FLID1ANI0003
KNApSAcK_ID C00009644
NAME Sandwicensin;3-Hydroxy-9-methoxy-10-prenylpterocarpan
CAS_RN 74515-46-1
FORMULA C21H22O4
EXACTMASS 338.151809192
AVERAGEMASS 338.39698
SMILES c(C24)(c(OC2c(c3OC4)ccc(O)c3)1)ccc(c1CC=C(C)C)OC
M END
