Mol:FLID1CNS0003
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 |
| − | -2.1830 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1830 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1830 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1830 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6267 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6267 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0704 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0704 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0704 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0704 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6267 1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6267 1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5141 0.2157 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.5141 0.2157 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0422 0.5369 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.0422 0.5369 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0422 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0422 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5141 1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5141 1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5983 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5983 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5983 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5983 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1931 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1931 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7879 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7879 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7879 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7879 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1931 0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1931 0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5083 -0.4707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5083 -0.4707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7393 1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7393 1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1931 -1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1931 -1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6539 -0.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6539 -0.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5200 -1.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5200 -1.4709 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 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 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 2.0248 -0.6772 | + | M SVB 1 23 2.0248 -0.6772 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID1CNS0003 | + | ID FLID1CNS0003 |
| − | KNApSAcK_ID C00009614 | + | KNApSAcK_ID C00009614 |
| − | NAME Vesticarpan;3,10-Dihydroxy-9-methoxypterocarpan | + | NAME Vesticarpan;3,10-Dihydroxy-9-methoxypterocarpan |
| − | CAS_RN 69853-46-9 | + | CAS_RN 69853-46-9 |
| − | FORMULA C16H14O5 | + | FORMULA C16H14O5 |
| − | EXACTMASS 286.084123558 | + | EXACTMASS 286.084123558 |
| − | AVERAGEMASS 286.27936 | + | AVERAGEMASS 286.27936 |
| − | SMILES COc(c4)c(O)c(O1)c(c4)C(C2)C1c(c3)c(cc(O)c3)O2 | + | SMILES COc(c4)c(O)c(O1)c(c4)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
-2.1830 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1830 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6267 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0704 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0704 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6267 1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5141 0.2157 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0422 0.5369 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0422 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5141 1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5983 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5983 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1931 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1931 0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5083 -0.4707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7393 1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1931 -1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6539 -0.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 -1.4709 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
18 1 1 0 0 0 0
12 17 1 0 0 0 0
13 19 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 2.0248 -0.6772
S SKP 8
ID FLID1CNS0003
KNApSAcK_ID C00009614
NAME Vesticarpan;3,10-Dihydroxy-9-methoxypterocarpan
CAS_RN 69853-46-9
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES COc(c4)c(O)c(O1)c(c4)C(C2)C1c(c3)c(cc(O)c3)O2
M END
