Mol:FLID1LNS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 27 0 0 0 0 0 0 0 0999 V2000 | + | 24 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1830 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1830 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1830 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1830 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6267 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6267 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0704 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0704 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0704 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0704 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6267 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6267 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5141 0.1647 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.5141 0.1647 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0422 0.4859 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.0422 0.4859 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0422 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0422 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5141 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5141 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5983 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5983 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5983 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5983 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1931 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1931 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7879 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7879 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7879 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7879 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1931 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1931 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5083 -0.5218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5083 -0.5218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7393 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7393 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6539 -1.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6539 -1.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5200 -1.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5200 -1.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4902 1.0922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4902 1.0922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2047 0.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2047 0.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7757 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7757 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4902 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4902 -1.4494 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 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 13 23 1 0 0 0 0 | + | 13 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 23 24 | + | M SAL 3 2 23 24 |
| − | M SBL 3 1 26 | + | M SBL 3 1 26 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 26 0.7757 -1.0369 | + | M SVB 3 26 0.7757 -1.0369 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 1.4902 1.0922 | + | M SVB 2 24 1.4902 1.0922 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 2.0248 -0.7282 | + | M SVB 1 22 2.0248 -0.7282 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID1LNS0002 | + | ID FLID1LNS0002 |
| − | KNApSAcK_ID C00009631 | + | KNApSAcK_ID C00009631 |
| − | NAME 9-O-Methylphilenopteran;3-Hydroxy-7,9,10-trimethoxypterocarpan | + | NAME 9-O-Methylphilenopteran;3-Hydroxy-7,9,10-trimethoxypterocarpan |
| − | CAS_RN 22356-05-4 | + | CAS_RN 22356-05-4 |
| − | FORMULA C18H18O6 | + | FORMULA C18H18O6 |
| − | EXACTMASS 330.110338308 | + | EXACTMASS 330.110338308 |
| − | AVERAGEMASS 330.33191999999997 | + | AVERAGEMASS 330.33191999999997 |
| − | SMILES c(c1OC)(OC)cc(c(C24)c(OC(c(c3OC4)ccc(O)c3)2)1)OC | + | SMILES c(c1OC)(OC)cc(c(C24)c(OC(c(c3OC4)ccc(O)c3)2)1)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-2.1830 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1830 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6267 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0704 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0704 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6267 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5141 0.1647 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0422 0.4859 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0422 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5141 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5983 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5983 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1931 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1931 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5083 -0.5218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7393 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6539 -1.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 -1.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4902 1.0922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2047 0.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7757 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4902 -1.4494 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
19 20 1 0 0 0 0
16 21 1 0 0 0 0
21 22 1 0 0 0 0
13 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 0.7757 -1.0369
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 1.4902 1.0922
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 2.0248 -0.7282
S SKP 8
ID FLID1LNS0002
KNApSAcK_ID C00009631
NAME 9-O-Methylphilenopteran;3-Hydroxy-7,9,10-trimethoxypterocarpan
CAS_RN 22356-05-4
FORMULA C18H18O6
EXACTMASS 330.110338308
AVERAGEMASS 330.33191999999997
SMILES c(c1OC)(OC)cc(c(C24)c(OC(c(c3OC4)ccc(O)c3)2)1)OC
M END
