Mol:FLID1LNS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 24 0 0 0 0 0 0 0 0999 V2000 | + | 21 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1787 0.9714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1787 0.9714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1787 0.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1787 0.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6224 0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6224 0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0661 0.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0661 0.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0661 0.9714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0661 0.9714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6224 1.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6224 1.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5098 0.0079 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.5098 0.0079 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0465 0.3291 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.0465 0.3291 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0465 0.9714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0465 0.9714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5098 1.2926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5098 1.2926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6026 0.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6026 0.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6026 -0.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6026 -0.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1974 -1.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1974 -1.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7921 -0.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7921 -0.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7921 0.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7921 0.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1974 0.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1974 0.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5081 -0.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5081 -0.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2038 0.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2038 0.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7436 1.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7436 1.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6581 -1.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6581 -1.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5241 -1.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5241 -1.6789 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 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 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 2.0291 -0.885 | + | M SVB 1 23 2.0291 -0.885 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID1LNS0003 | + | ID FLID1LNS0003 |
| − | KNApSAcK_ID C00009992 | + | KNApSAcK_ID C00009992 |
| − | NAME Nissicarpin;3,7-Dihydroxy-9-methoxypterocarpan | + | NAME Nissicarpin;3,7-Dihydroxy-9-methoxypterocarpan |
| − | CAS_RN 89647-68-7 | + | CAS_RN 89647-68-7 |
| − | FORMULA C16H14O5 | + | FORMULA C16H14O5 |
| − | EXACTMASS 286.084123558 | + | EXACTMASS 286.084123558 |
| − | AVERAGEMASS 286.27936 | + | AVERAGEMASS 286.27936 |
| − | SMILES COc(c4)cc(O1)c(c(O)4)C(C2)C1c(c3)c(cc(O)c3)O2 | + | SMILES COc(c4)cc(O1)c(c(O)4)C(C2)C1c(c3)c(cc(O)c3)O2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 24 0 0 0 0 0 0 0 0999 V2000
-2.1787 0.9714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1787 0.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6224 0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0661 0.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0661 0.9714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6224 1.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5098 0.0079 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0465 0.3291 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0465 0.9714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5098 1.2926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6026 0.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6026 -0.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1974 -1.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7921 -0.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7921 0.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1974 0.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5081 -0.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2038 0.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7436 1.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6581 -1.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5241 -1.6789 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
8 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 1 0 0 0 0
16 18 1 0 0 0 0
19 1 1 0 0 0 0
12 17 1 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 2.0291 -0.885
S SKP 8
ID FLID1LNS0003
KNApSAcK_ID C00009992
NAME Nissicarpin;3,7-Dihydroxy-9-methoxypterocarpan
CAS_RN 89647-68-7
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES COc(c4)cc(O1)c(c(O)4)C(C2)C1c(c3)c(cc(O)c3)O2
M END
