Mol:FL2FADNP0002
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 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3065 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3065 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7857 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7857 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2648 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2648 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2648 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2648 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7857 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7857 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3065 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3065 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2561 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2561 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7770 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7770 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7770 -0.3001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.7770 -0.3001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.2561 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2561 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2974 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2974 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2561 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2561 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8317 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8317 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3661 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3661 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3661 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3661 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8317 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8317 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2974 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2974 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7857 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7857 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3661 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3661 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8269 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8269 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7857 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7857 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8269 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8269 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3473 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3473 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3473 -0.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3473 -0.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6833 0.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6833 0.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8996 -0.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8996 -0.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3060 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3060 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3060 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3060 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8264 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8264 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7857 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7857 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0985 1.4923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0985 1.4923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5246 2.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5246 2.3970 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 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 24 23 1 0 0 0 0 | + | 24 23 1 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 |
| − | 16 31 1 0 0 0 0 | + | 16 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 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 34 2.0985 1.4923 | + | M SVB 1 34 2.0985 1.4923 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FADNP0002 | + | ID FL2FADNP0002 |
| − | KNApSAcK_ID C00008514 | + | KNApSAcK_ID C00008514 |
| − | NAME 3'-Methoxylupinifolin | + | NAME 3'-Methoxylupinifolin |
| − | CAS_RN 144049-80-9 | + | CAS_RN 144049-80-9 |
| − | FORMULA C26H28O6 | + | FORMULA C26H28O6 |
| − | EXACTMASS 436.188588628 | + | EXACTMASS 436.188588628 |
| − | AVERAGEMASS 436.49692 | + | AVERAGEMASS 436.49692 |
| − | SMILES O(c(c4O)cc(cc4)C(O3)CC(=O)c(c31)c(c(C=2)c(OC(C2)(C)C)c1CC=C(C)C)O)C | + | SMILES O(c(c4O)cc(cc4)C(O3)CC(=O)c(c31)c(c(C=2)c(OC(C2)(C)C)c1CC=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 35 0 0 0 0 0 0 0 0999 V2000
-1.3065 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7857 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2648 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2648 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7857 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3065 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2561 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7770 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7770 -0.3001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.2561 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2974 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2561 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8317 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3661 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3661 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8317 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2974 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7857 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3661 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8269 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7857 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8269 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3473 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3473 -0.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6833 0.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8996 -0.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3060 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3060 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8264 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7857 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0985 1.4923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5246 2.3970 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
15 19 1 0 0 0 0
6 20 1 0 0 0 0
5 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 2 0 0 0 0
20 24 1 0 0 0 0
24 23 1 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
16 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 34
M SMT 1 OCH3
M SVB 1 34 2.0985 1.4923
S SKP 8
ID FL2FADNP0002
KNApSAcK_ID C00008514
NAME 3'-Methoxylupinifolin
CAS_RN 144049-80-9
FORMULA C26H28O6
EXACTMASS 436.188588628
AVERAGEMASS 436.49692
SMILES O(c(c4O)cc(cc4)C(O3)CC(=O)c(c31)c(c(C=2)c(OC(C2)(C)C)c1CC=C(C)C)O)C
M END
