Mol:FL2FABNI0003
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -1.4207 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4207 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8998 -1.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8998 -1.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3790 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3790 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3790 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3790 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8998 -0.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8998 -0.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4207 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4207 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1419 -1.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1419 -1.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6628 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6628 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6628 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6628 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1419 -0.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1419 -0.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1832 -0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1832 -0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1419 -2.2105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1419 -2.2105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7175 -0.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7175 -0.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2519 -0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2519 -0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2519 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2519 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7175 0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7175 0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1832 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1832 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8998 -2.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8998 -2.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9411 -0.4840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9411 -0.4840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9411 -1.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9411 -1.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4615 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4615 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9807 -1.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9807 -1.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4998 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4998 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9807 -2.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9807 -2.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8998 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8998 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7175 1.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7175 1.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2510 1.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2510 1.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2510 1.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2510 1.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7187 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7187 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7833 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7833 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7854 0.4410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7854 0.4410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4998 0.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4998 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 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 5 25 1 0 0 0 0 | + | 5 25 1 0 0 0 0 |
| − | 16 26 1 0 0 0 0 | + | 16 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 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 -6.3957 3.1717 | + | M SBV 1 33 -6.3957 3.1717 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FABNI0003 | + | ID FL2FABNI0003 |
| − | KNApSAcK_ID C00008494 | + | KNApSAcK_ID C00008494 |
| − | NAME Lespedezaflavanone F | + | NAME Lespedezaflavanone F |
| − | CAS_RN 145399-96-8 | + | CAS_RN 145399-96-8 |
| − | FORMULA C27H32O5 | + | FORMULA C27H32O5 |
| − | EXACTMASS 436.224974134 | + | EXACTMASS 436.224974134 |
| − | AVERAGEMASS 436.53998 | + | AVERAGEMASS 436.53998 |
| − | SMILES c(c1C)(O)c(CC=C(C)C)c(c(C3=O)c(OC(C3)c(c2)ccc(c(CC=C(C)C)2)OC)1)O | + | SMILES c(c1C)(O)c(CC=C(C)C)c(c(C3=O)c(OC(C3)c(c2)ccc(c(CC=C(C)C)2)OC)1)O |
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
-1.4207 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8998 -1.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3790 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3790 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8998 -0.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4207 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1419 -1.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6628 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6628 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1419 -0.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1832 -0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1419 -2.2105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7175 -0.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2519 -0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2519 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7175 0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1832 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8998 -2.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9411 -0.4840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9411 -1.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4615 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9807 -1.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4998 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9807 -2.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8998 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7175 1.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2510 1.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2510 1.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7187 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7833 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7854 0.4410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4998 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
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
5 25 1 0 0 0 0
16 26 1 0 0 0 0
26 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 -6.3957 3.1717
S SKP 8
ID FL2FABNI0003
KNApSAcK_ID C00008494
NAME Lespedezaflavanone F
CAS_RN 145399-96-8
FORMULA C27H32O5
EXACTMASS 436.224974134
AVERAGEMASS 436.53998
SMILES c(c1C)(O)c(CC=C(C)C)c(c(C3=O)c(OC(C3)c(c2)ccc(c(CC=C(C)C)2)OC)1)O
M END
