Mol:FL5FDDNI0005
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9631 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9631 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9631 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9631 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4068 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4068 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8505 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8505 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8505 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8505 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4068 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4068 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2942 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2942 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2621 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2621 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2621 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2621 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2942 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2942 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2942 -1.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2942 -1.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8182 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8182 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3852 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3852 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9522 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9522 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9522 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9522 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3852 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3852 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8182 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8182 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4068 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4068 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9522 0.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9522 0.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4068 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4068 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9629 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9629 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9629 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9629 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5190 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5190 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4068 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4068 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3203 0.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3203 0.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8203 1.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8203 1.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1281 -1.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1281 -1.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9941 -1.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9941 -1.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6686 1.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6686 1.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1099 2.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1099 2.4556 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 |
| − | 6 20 1 0 0 0 0 | + | 6 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 |
| − | 1 25 1 0 0 0 0 | + | 1 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 8 27 1 0 0 0 0 | + | 8 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 16 29 1 0 0 0 0 | + | 16 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 29 30 | + | M SAL 3 2 29 30 |
| − | M SBL 3 1 31 | + | M SBL 3 1 31 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 31 1.6686 1.5583 | + | M SVB 3 31 1.6686 1.5583 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 27 28 | + | M SAL 2 2 27 28 |
| − | M SBL 2 1 29 | + | M SBL 2 1 29 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 29 0.4724 -1.1483 | + | M SVB 2 29 0.4724 -1.1483 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 -2.3203 0.2978 | + | M SVB 1 27 -2.3203 0.2978 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FDDNI0005 | + | ID FL5FDDNI0005 |
| − | KNApSAcK_ID C00005027 | + | KNApSAcK_ID C00005027 |
| − | NAME 5,4'-Dihydroxy-3,7,3'-trimethoxy-8-prenylflavone | + | NAME 5,4'-Dihydroxy-3,7,3'-trimethoxy-8-prenylflavone |
| − | CAS_RN 40073-85-6 | + | CAS_RN 40073-85-6 |
| − | FORMULA C23H24O7 | + | FORMULA C23H24O7 |
| − | EXACTMASS 412.152203122 | + | EXACTMASS 412.152203122 |
| − | AVERAGEMASS 412.43246 | + | AVERAGEMASS 412.43246 |
| − | SMILES O=C(c23)C(OC)=C(Oc2c(c(OC)cc(O)3)CC=C(C)C)c(c1)cc(OC)c(O)c1 | + | SMILES O=C(c23)C(OC)=C(Oc2c(c(OC)cc(O)3)CC=C(C)C)c(c1)cc(OC)c(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
-1.9631 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9631 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4068 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8505 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8505 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4068 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2942 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2621 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2621 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2942 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2942 -1.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8182 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3852 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9522 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9522 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3852 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8182 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4068 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9522 0.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4068 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9629 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9629 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5190 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4068 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3203 0.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8203 1.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1281 -1.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9941 -1.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6686 1.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1099 2.4556 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
6 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
1 25 1 0 0 0 0
25 26 1 0 0 0 0
8 27 1 0 0 0 0
27 28 1 0 0 0 0
16 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 29 30
M SBL 3 1 31
M SMT 3 OCH3
M SVB 3 31 1.6686 1.5583
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 27 28
M SBL 2 1 29
M SMT 2 OCH3
M SVB 2 29 0.4724 -1.1483
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 -2.3203 0.2978
S SKP 8
ID FL5FDDNI0005
KNApSAcK_ID C00005027
NAME 5,4'-Dihydroxy-3,7,3'-trimethoxy-8-prenylflavone
CAS_RN 40073-85-6
FORMULA C23H24O7
EXACTMASS 412.152203122
AVERAGEMASS 412.43246
SMILES O=C(c23)C(OC)=C(Oc2c(c(OC)cc(O)3)CC=C(C)C)c(c1)cc(OC)c(O)c1
M END
