Mol:FL2FABNI0004
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1854 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1854 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6645 -1.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6645 -1.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1436 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1436 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1436 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1436 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6645 -0.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6645 -0.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1854 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1854 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6227 -1.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6227 -1.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1019 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1019 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1019 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1019 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6227 -0.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6227 -0.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4185 -0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4185 -0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6227 -2.2105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6227 -2.2105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9529 -0.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9529 -0.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4872 -0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4872 -0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4872 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4872 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9529 0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9529 0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4185 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4185 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6645 -2.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6645 -2.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7058 -0.4840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7058 -0.4840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7058 -1.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7058 -1.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6645 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6645 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9529 1.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9529 1.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4863 1.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4863 1.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4863 1.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4863 1.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9541 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9541 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0186 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0186 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1990 0.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1990 0.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1990 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1990 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7352 1.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7352 1.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6109 1.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6109 1.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0207 0.4410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0207 0.4410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7352 0.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7352 0.0285 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 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 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 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 15 31 1 0 0 0 0 | + | 15 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 33 -7.3089 4.7227 | + | M SBV 1 33 -7.3089 4.7227 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FABNI0004 | + | ID FL2FABNI0004 |
| − | KNApSAcK_ID C00008495 | + | KNApSAcK_ID C00008495 |
| − | NAME Lespedezaflavanone G | + | NAME Lespedezaflavanone G |
| − | CAS_RN 145399-97-9 | + | CAS_RN 145399-97-9 |
| − | FORMULA C27H32O5 | + | FORMULA C27H32O5 |
| − | EXACTMASS 436.224974134 | + | EXACTMASS 436.224974134 |
| − | AVERAGEMASS 436.53998 | + | AVERAGEMASS 436.53998 |
| − | SMILES Oc(c13)c(c(c(c1OC(CC3=O)c(c2)cc(c(OC)c2)CC=C(C)C)CC=C(C)C)O)C | + | SMILES Oc(c13)c(c(c(c1OC(CC3=O)c(c2)cc(c(OC)c2)CC=C(C)C)CC=C(C)C)O)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-2.1854 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6645 -1.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1436 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1436 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6645 -0.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1854 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6227 -1.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1019 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1019 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6227 -0.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4185 -0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6227 -2.2105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9529 -0.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4872 -0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4872 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9529 0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4185 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6645 -2.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7058 -0.4840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7058 -1.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6645 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9529 1.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4863 1.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4863 1.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9541 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0186 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1990 0.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1990 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7352 1.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6109 1.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0207 0.4410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7352 0.0285 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 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 17 2 0 0 0 0
17 11 1 0 0 0 0
2 18 1 0 0 0 0
6 19 1 0 0 0 0
1 20 1 0 0 0 0
5 21 1 0 0 0 0
16 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
21 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
15 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 33
M SMT 1 OCH3
M SBV 1 33 -7.3089 4.7227
S SKP 8
ID FL2FABNI0004
KNApSAcK_ID C00008495
NAME Lespedezaflavanone G
CAS_RN 145399-97-9
FORMULA C27H32O5
EXACTMASS 436.224974134
AVERAGEMASS 436.53998
SMILES Oc(c13)c(c(c(c1OC(CC3=O)c(c2)cc(c(OC)c2)CC=C(C)C)CC=C(C)C)O)C
M END
