Mol:FLNC28NS0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 24 0 0 0 0 0 0 0 0999 V2000 | + | 23 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0401 1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0401 1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4838 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4838 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0723 1.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0723 1.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0723 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0723 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6491 0.1624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.6491 0.1624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 1.2258 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2258 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0919 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0919 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0401 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0401 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4838 0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4838 0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6491 -0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6491 -0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0961 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0961 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0961 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0961 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6491 -1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6491 -1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2020 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2020 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2020 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2020 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2823 -0.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2823 -0.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7545 -0.5033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7545 -0.5033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6491 1.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6491 1.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5152 1.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5152 1.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3973 1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3973 1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8972 2.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8972 2.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7545 0.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7545 0.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7332 0.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7332 0.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 6 0 0 0 | + | 5 6 1 6 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 1 8 1 0 0 0 0 | + | 1 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
| − | 5 10 1 0 0 0 0 | + | 5 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 5 16 1 1 0 0 0 | + | 5 16 1 1 0 0 0 |
| − | 15 17 1 0 0 0 0 | + | 15 17 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 8 22 1 0 0 0 0 | + | 8 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 22 23 | + | M SAL 3 2 22 23 |
| − | M SBL 3 1 23 | + | M SBL 3 1 23 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 23 -1.7545 0.6689 | + | M SVB 3 23 -1.7545 0.6689 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 20 21 | + | M SAL 2 2 20 21 |
| − | M SBL 2 1 21 | + | M SBL 2 1 21 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 21 -1.3973 1.78 | + | M SVB 2 21 -1.3973 1.78 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 18 19 | + | M SAL 1 2 18 19 |
| − | M SBL 1 1 19 | + | M SBL 1 1 19 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 19 0.6491 1.4943 | + | M SVB 1 19 0.6491 1.4943 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNC28NS0002 | + | ID FLNC28NS0002 |
| − | KNApSAcK_ID C00010259 | + | KNApSAcK_ID C00010259 |
| − | NAME 5-O-Methyllatifolin;(R)-2'-Hydroxy-2,4,5-trimethoxydalbergiquinol | + | NAME 5-O-Methyllatifolin;(R)-2'-Hydroxy-2,4,5-trimethoxydalbergiquinol |
| − | CAS_RN 18525-14-9 | + | CAS_RN 18525-14-9 |
| − | FORMULA C18H20O4 | + | FORMULA C18H20O4 |
| − | EXACTMASS 300.136159128 | + | EXACTMASS 300.136159128 |
| − | AVERAGEMASS 300.349 | + | AVERAGEMASS 300.349 |
| − | SMILES c(c2OC)(OC)cc(c(c2)[C@](c(c1)c(O)ccc1)([H])C=C)OC | + | SMILES c(c2OC)(OC)cc(c(c2)[C@](c(c1)c(O)ccc1)([H])C=C)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 0 0 0 0 0 0999 V2000
-1.0401 1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4838 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0723 1.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0723 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6491 0.1624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2258 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0919 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0401 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4838 0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6491 -0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0961 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0961 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6491 -1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2020 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2020 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2823 -0.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7545 -0.5033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6491 1.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5152 1.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3973 1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8972 2.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7545 0.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7332 0.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 6 0 0 0
6 7 2 0 0 0 0
1 8 1 0 0 0 0
8 9 2 0 0 0 0
9 4 1 0 0 0 0
5 10 1 0 0 0 0
10 11 2 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 10 1 0 0 0 0
5 16 1 1 0 0 0
15 17 1 0 0 0 0
3 18 1 0 0 0 0
18 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
8 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 22 23
M SBL 3 1 23
M SMT 3 OCH3
M SVB 3 23 -1.7545 0.6689
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 21
M SMT 2 OCH3
M SVB 2 21 -1.3973 1.78
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 19
M SMT 1 OCH3
M SVB 1 19 0.6491 1.4943
S SKP 8
ID FLNC28NS0002
KNApSAcK_ID C00010259
NAME 5-O-Methyllatifolin;(R)-2'-Hydroxy-2,4,5-trimethoxydalbergiquinol
CAS_RN 18525-14-9
FORMULA C18H20O4
EXACTMASS 300.136159128
AVERAGEMASS 300.349
SMILES c(c2OC)(OC)cc(c(c2)[C@](c(c1)c(O)ccc1)([H])C=C)OC
M END
