Mol:FL2FA9NM0011
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5761 -0.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5761 -0.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0552 -0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0552 -0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5344 -0.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5344 -0.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5344 0.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5344 0.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0552 0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0552 0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5761 0.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5761 0.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0135 -0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0135 -0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5074 -0.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5074 -0.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5074 0.1024 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.5074 0.1024 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0135 0.4031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0135 0.4031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0278 0.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0278 0.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0135 -1.3237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0135 -1.3237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5621 0.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5621 0.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0965 0.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0965 0.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0965 1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0965 1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5621 1.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5621 1.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0278 1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0278 1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0965 -0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0965 -0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4714 -1.1219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4714 -1.1219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6496 -1.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6496 -1.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9334 0.7212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9334 0.7212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4334 1.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4334 1.5872 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 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 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 23 | + | M SBL 2 1 23 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 23 -1.9334 0.7212 | + | M SVB 2 23 -1.9334 0.7212 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 -1.5686 -0.9159 | + | M SVB 1 21 -1.5686 -0.9159 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NM0011 | + | ID FL2FA9NM0011 |
| − | KNApSAcK_ID C00008420 | + | KNApSAcK_ID C00008420 |
| − | NAME 5,7-Dimethoxy-6-C-methylflavanone | + | NAME 5,7-Dimethoxy-6-C-methylflavanone |
| − | CAS_RN 128508-16-7 | + | CAS_RN 128508-16-7 |
| − | FORMULA C18H18O4 | + | FORMULA C18H18O4 |
| − | EXACTMASS 298.120509064 | + | EXACTMASS 298.120509064 |
| − | AVERAGEMASS 298.33312 | + | AVERAGEMASS 298.33312 |
| − | SMILES O(C2c(c3)cccc3)c(c(C(=O)C2)1)cc(c(c1OC)C)OC | + | SMILES O(C2c(c3)cccc3)c(c(C(=O)C2)1)cc(c(c1OC)C)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.5761 -0.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0552 -0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5344 -0.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5344 0.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0552 0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5761 0.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0135 -0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5074 -0.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5074 0.1024 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0135 0.4031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0278 0.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0135 -1.3237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5621 0.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0965 0.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0965 1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5621 1.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0278 1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0965 -0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4714 -1.1219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6496 -1.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9334 0.7212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4334 1.5872 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
1 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 -1.9334 0.7212
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -1.5686 -0.9159
S SKP 8
ID FL2FA9NM0011
KNApSAcK_ID C00008420
NAME 5,7-Dimethoxy-6-C-methylflavanone
CAS_RN 128508-16-7
FORMULA C18H18O4
EXACTMASS 298.120509064
AVERAGEMASS 298.33312
SMILES O(C2c(c3)cccc3)c(c(C(=O)C2)1)cc(c(c1OC)C)OC
M END
