Mol:FLNC29NS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 23 0 0 0 0 0 0 0 0999 V2000 | + | 22 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1697 1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1697 1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6134 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6134 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0573 1.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0573 1.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0573 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0573 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5195 0.1624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.5195 0.1624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 1.0962 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0962 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9623 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9623 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1697 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1697 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6134 0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6134 0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5195 -0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5195 -0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0335 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0335 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0335 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0335 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5195 -1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5195 -1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0724 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0724 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0724 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0724 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6249 0.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6249 0.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1527 -0.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1527 -0.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6249 -1.7798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6249 -1.7798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5269 1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5269 1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0268 2.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0268 2.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5195 1.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5195 1.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3856 1.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3856 1.9942 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 1 0 0 0 | + | 5 6 1 1 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 |
| − | 8 16 1 0 0 0 0 | + | 8 16 1 0 0 0 0 |
| − | 5 17 1 6 0 0 0 | + | 5 17 1 6 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 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 22 | + | M SBL 2 1 22 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 22 0.5195 1.4943 | + | M SVB 2 22 0.5195 1.4943 |
| − | 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 20 | + | M SBL 1 1 20 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 20 -1.5269 1.78 | + | M SVB 1 20 -1.5269 1.78 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNC29NS0001 | + | ID FLNC29NS0001 |
| − | KNApSAcK_ID C00010260 | + | KNApSAcK_ID C00010260 |
| − | NAME (S)-5,3'-Dihydroxy-2,4-dimethoxydalbergiquinol | + | NAME (S)-5,3'-Dihydroxy-2,4-dimethoxydalbergiquinol |
| − | CAS_RN 36286-66-5 | + | CAS_RN 36286-66-5 |
| − | FORMULA C17H18O4 | + | FORMULA C17H18O4 |
| − | EXACTMASS 286.120509064 | + | EXACTMASS 286.120509064 |
| − | AVERAGEMASS 286.32241999999997 | + | AVERAGEMASS 286.32241999999997 |
| − | SMILES COc(c2)c(O)cc(c(OC)2)[C@]([H])(C=C)c(c1)cc(O)cc1 | + | SMILES COc(c2)c(O)cc(c(OC)2)[C@]([H])(C=C)c(c1)cc(O)cc1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 0 0 0 0 0 0999 V2000
-1.1697 1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6134 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0573 1.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0573 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5195 0.1624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.0962 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9623 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1697 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6134 0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5195 -0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0335 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0335 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5195 -1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0724 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0724 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6249 0.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1527 -0.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6249 -1.7798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5269 1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0268 2.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5195 1.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3856 1.9942 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 1 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
8 16 1 0 0 0 0
5 17 1 6 0 0 0
14 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
3 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 0.5195 1.4943
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 -1.5269 1.78
S SKP 8
ID FLNC29NS0001
KNApSAcK_ID C00010260
NAME (S)-5,3'-Dihydroxy-2,4-dimethoxydalbergiquinol
CAS_RN 36286-66-5
FORMULA C17H18O4
EXACTMASS 286.120509064
AVERAGEMASS 286.32241999999997
SMILES COc(c2)c(O)cc(c(OC)2)[C@]([H])(C=C)c(c1)cc(O)cc1
M END
