Mol:FLID1LNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 26 0 0 0 0 0 0 0 0999 V2000 | + | 23 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0044 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0044 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0044 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0044 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4481 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4481 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8918 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8918 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8918 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8918 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4481 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4481 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3355 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3355 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2208 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2208 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2208 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2208 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3355 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3355 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7769 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7769 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3717 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3717 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9665 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9665 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9665 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9665 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3717 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3717 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3296 -0.5218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3296 -0.5218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5607 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5607 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5607 -0.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5607 -0.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9543 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9543 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6688 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6688 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6688 1.0922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6688 1.0922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3833 0.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3833 0.6797 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 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 SBV 1 23 -6.3570 4.6280 | + | M SBV 1 23 -6.3570 4.6280 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 25 -5.6425 5.3835 | + | M SBV 2 25 -5.6425 5.3835 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID1LNS0001 | + | ID FLID1LNS0001 |
| − | KNApSAcK_ID C00009626 | + | KNApSAcK_ID C00009626 |
| − | NAME Philenopteran;3,9-Dihydroxy-7,10-dimethoxypterocarpan | + | NAME Philenopteran;3,9-Dihydroxy-7,10-dimethoxypterocarpan |
| − | CAS_RN 22356-04-3 | + | CAS_RN 22356-04-3 |
| − | FORMULA C17H16O6 | + | FORMULA C17H16O6 |
| − | EXACTMASS 316.094688244 | + | EXACTMASS 316.094688244 |
| − | AVERAGEMASS 316.30534 | + | AVERAGEMASS 316.30534 |
| − | SMILES COc(c1)c(C32)c(OC(c(c4)c(cc(O)c4)OC3)2)c(OC)c(O)1 | + | SMILES COc(c1)c(C32)c(OC(c(c4)c(cc(O)c4)OC3)2)c(OC)c(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 26 0 0 0 0 0 0 0 0999 V2000
-2.0044 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0044 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3296 -0.5218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5607 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5607 -0.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9543 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6688 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6688 1.0922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3833 0.6797 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
14 19 1 0 0 0 0
13 20 1 0 0 0 0
20 21 1 0 0 0 0
16 22 1 0 0 0 0
22 23 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 SBV 1 23 -6.3570 4.6280
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 25
M SMT 2 OCH3
M SBV 2 25 -5.6425 5.3835
S SKP 8
ID FLID1LNS0001
KNApSAcK_ID C00009626
NAME Philenopteran;3,9-Dihydroxy-7,10-dimethoxypterocarpan
CAS_RN 22356-04-3
FORMULA C17H16O6
EXACTMASS 316.094688244
AVERAGEMASS 316.30534
SMILES COc(c1)c(C32)c(OC(c(c4)c(cc(O)c4)OC3)2)c(OC)c(O)1
M END
