Mol:FL5FDCNI0003
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 35 0 0 0 0 0 0 0 0999 V2000 | + | 33 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1294 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1294 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1294 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1294 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5731 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5731 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0168 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0168 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0168 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0168 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5731 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5731 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5395 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5395 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0958 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0958 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0958 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0958 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5395 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5395 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5395 -1.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5395 -1.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6519 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6519 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2188 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2188 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7858 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7858 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7858 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7858 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2188 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2188 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6519 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6519 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5731 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5731 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3526 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3526 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6855 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6855 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2188 1.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2188 1.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5731 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5731 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1292 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1292 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1292 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1292 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6853 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6853 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5731 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5731 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6855 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6855 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2416 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2416 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7977 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7977 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3526 -0.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3526 -0.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7977 -1.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7977 -1.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9618 -1.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9618 -1.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8278 -1.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8278 -1.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 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 |
| − | 2 27 1 0 0 0 0 | + | 2 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 8 32 1 0 0 0 0 | + | 8 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 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 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 34 1.306 -1.1483 | + | M SVB 1 34 1.306 -1.1483 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FDCNI0003 | + | ID FL5FDCNI0003 |
| − | KNApSAcK_ID C00005032 | + | KNApSAcK_ID C00005032 |
| − | NAME Broussoflavonol B | + | NAME Broussoflavonol B |
| − | CAS_RN 99217-70-6 | + | CAS_RN 99217-70-6 |
| − | FORMULA C26H28O7 | + | FORMULA C26H28O7 |
| − | EXACTMASS 452.18350325 | + | EXACTMASS 452.18350325 |
| − | AVERAGEMASS 452.49631999999997 | + | AVERAGEMASS 452.49631999999997 |
| − | SMILES C(C)(C)=CCc(c(O)3)c(c(c(O)c3CC=C(C)C)1)OC(c(c2)ccc(O)c(O)2)=C(OC)C1=O | + | SMILES C(C)(C)=CCc(c(O)3)c(c(c(O)c3CC=C(C)C)1)OC(c(c2)ccc(O)c(O)2)=C(OC)C1=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 35 0 0 0 0 0 0 0 0999 V2000
-1.1294 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1294 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5731 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0168 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0168 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5731 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5395 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0958 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0958 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5395 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5395 -1.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6519 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2188 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7858 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7858 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2188 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6519 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5731 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3526 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6855 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2188 1.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5731 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1292 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1292 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6853 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5731 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6855 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2416 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7977 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3526 -0.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7977 -1.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9618 -1.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8278 -1.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
15 19 1 0 0 0 0
1 20 1 0 0 0 0
16 21 1 0 0 0 0
6 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
2 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
8 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 34
M SMT 1 OCH3
M SVB 1 34 1.306 -1.1483
S SKP 8
ID FL5FDCNI0003
KNApSAcK_ID C00005032
NAME Broussoflavonol B
CAS_RN 99217-70-6
FORMULA C26H28O7
EXACTMASS 452.18350325
AVERAGEMASS 452.49631999999997
SMILES C(C)(C)=CCc(c(O)3)c(c(c(O)c3CC=C(C)C)1)OC(c(c2)ccc(O)c(O)2)=C(OC)C1=O
M END
