Mol:FL5FCANI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 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 |
| − | 0.8419 -1.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8419 -1.2697 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 | + | -1.4068 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5190 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5190 0.9821 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 |
| − | -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 |
| − | -2.5190 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 |
| − | -2.3077 0.3196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3077 0.3196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7815 1.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7815 1.2002 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 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 1 26 1 0 0 0 0 | + | 1 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 -2.3077 0.3196 | + | M SVB 1 28 -2.3077 0.3196 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FCANI0001 | + | ID FL5FCANI0001 |
| − | KNApSAcK_ID C00005003 | + | KNApSAcK_ID C00005003 |
| − | NAME Isoanhydroicaritin | + | NAME Isoanhydroicaritin |
| − | CAS_RN 28610-30-2 | + | CAS_RN 28610-30-2 |
| − | FORMULA C21H20O6 | + | FORMULA C21H20O6 |
| − | EXACTMASS 368.125988372 | + | EXACTMASS 368.125988372 |
| − | AVERAGEMASS 368.37989999999996 | + | AVERAGEMASS 368.37989999999996 |
| − | SMILES COc(c3)c(c(c(c(O)3)2)OC(=C(C2=O)O)c(c1)ccc(O)c1)CC=C(C)C | + | SMILES COc(c3)c(c(c(c(O)3)2)OC(=C(C2=O)O)c(c1)ccc(O)c1)CC=C(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 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
0.8419 -1.2697 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
2.5190 0.9821 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
-1.4068 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
-2.3077 0.3196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7815 1.2002 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
8 18 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
1 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 -2.3077 0.3196
S SKP 8
ID FL5FCANI0001
KNApSAcK_ID C00005003
NAME Isoanhydroicaritin
CAS_RN 28610-30-2
FORMULA C21H20O6
EXACTMASS 368.125988372
AVERAGEMASS 368.37989999999996
SMILES COc(c3)c(c(c(c(O)3)2)OC(=C(C2=O)O)c(c1)ccc(O)c1)CC=C(C)C
M END
