Mol:FLIDHXNS0004
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 29 0 0 0 0 0 0 0 0999 V2000 | + | 25 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6630 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6630 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6630 0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6630 0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1625 0.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1625 0.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6621 0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6621 0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6621 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6621 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1625 1.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1625 1.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1616 0.1071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.1616 0.1071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.3388 0.3960 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.3388 0.3960 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.3388 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3388 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1616 1.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1616 1.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0415 -0.4581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0415 -0.4581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5332 -0.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5332 -0.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7682 0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7682 0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8729 -0.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8729 -0.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4476 -0.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4476 -0.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6826 -0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6826 -0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3429 0.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3429 0.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1061 1.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1061 1.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6856 -0.1954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6856 -0.1954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8589 0.6963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8589 0.6963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8770 -1.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8770 -1.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3775 -1.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3775 -1.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2573 -0.4581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2573 -0.4581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3775 0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3775 0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3628 0.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3628 0.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 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 |
| − | 7 11 1 0 0 0 0 | + | 7 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 8 1 0 0 0 0 | + | 13 8 1 0 0 0 0 |
| − | 12 14 1 0 0 0 0 | + | 12 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 13 1 0 0 0 0 | + | 17 13 1 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 7 19 1 6 0 0 0 | + | 7 19 1 6 0 0 0 |
| − | 8 20 1 6 0 0 0 | + | 8 20 1 6 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 16 1 0 0 0 0 | + | 23 16 1 0 0 0 0 |
| − | 2 24 1 0 0 0 0 | + | 2 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 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 -2.3775 0.5198 | + | M SVB 1 28 -2.3775 0.5198 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDHXNS0004 | + | ID FLIDHXNS0004 |
| − | KNApSAcK_ID C00002533 | + | KNApSAcK_ID C00002533 |
| − | NAME Hildecarpin;3,6a-Dihydroxy-2-methoxy-8,9-methylenedioxypterocarpan | + | NAME Hildecarpin;3,6a-Dihydroxy-2-methoxy-8,9-methylenedioxypterocarpan |
| − | CAS_RN 99624-64-3 | + | CAS_RN 99624-64-3 |
| − | FORMULA C17H14O7 | + | FORMULA C17H14O7 |
| − | EXACTMASS 330.073952802 | + | EXACTMASS 330.073952802 |
| − | AVERAGEMASS 330.28886 | + | AVERAGEMASS 330.28886 |
| − | SMILES COc(c(O)5)cc(c(c5)4)[C@]([H])(O1)[C@@](O)(CO4)c(c2)c(cc(O3)c(OC3)2)1 | + | SMILES COc(c(O)5)cc(c(c5)4)[C@]([H])(O1)[C@@](O)(CO4)c(c2)c(cc(O3)c(OC3)2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 29 0 0 0 0 0 0 0 0999 V2000
-1.6630 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6630 0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1625 0.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6621 0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6621 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1625 1.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1616 0.1071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.3388 0.3960 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.3388 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1616 1.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0415 -0.4581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5332 -0.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7682 0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8729 -0.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4476 -0.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6826 -0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3429 0.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1061 1.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6856 -0.1954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8589 0.6963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8770 -1.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3775 -1.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2573 -0.4581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3775 0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3628 0.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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
7 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 8 1 0 0 0 0
12 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 13 1 0 0 0 0
18 1 1 0 0 0 0
7 19 1 6 0 0 0
8 20 1 6 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 16 1 0 0 0 0
2 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 28
M SMT 1 OCH3
M SVB 1 28 -2.3775 0.5198
S SKP 8
ID FLIDHXNS0004
KNApSAcK_ID C00002533
NAME Hildecarpin;3,6a-Dihydroxy-2-methoxy-8,9-methylenedioxypterocarpan
CAS_RN 99624-64-3
FORMULA C17H14O7
EXACTMASS 330.073952802
AVERAGEMASS 330.28886
SMILES COc(c(O)5)cc(c(c5)4)[C@]([H])(O1)[C@@](O)(CO4)c(c2)c(cc(O3)c(OC3)2)1
M END
