Mol:FL2FEANS0002
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 |
| − | -1.8949 0.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8949 0.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8949 -0.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8949 -0.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3386 -0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3386 -0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7823 -0.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7823 -0.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7823 0.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7823 0.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3386 0.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3386 0.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2260 -0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2260 -0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3303 -0.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3303 -0.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3303 0.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3303 0.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2260 0.4661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2260 0.4661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8864 0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8864 0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4534 0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4534 0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0203 0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0203 0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0203 1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0203 1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4534 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4534 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8864 1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8864 1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2260 -1.3624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2260 -1.3624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4865 0.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4865 0.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6094 1.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6094 1.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3386 -1.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3386 -1.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6094 -0.4060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6094 -0.4060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8949 -0.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8949 -0.8185 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 23 -7.0190 2.4639 | + | M SBV 1 23 -7.0190 2.4639 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FEANS0002 | + | ID FL2FEANS0002 |
| − | KNApSAcK_ID C00008233 | + | KNApSAcK_ID C00008233 |
| − | NAME 5,7,4'-Trihydroxy-6-methoxyflavanone | + | NAME 5,7,4'-Trihydroxy-6-methoxyflavanone |
| − | CAS_RN 94942-49-1 | + | CAS_RN 94942-49-1 |
| − | FORMULA C16H14O6 | + | FORMULA C16H14O6 |
| − | EXACTMASS 302.07903818 | + | EXACTMASS 302.07903818 |
| − | AVERAGEMASS 302.27876000000003 | + | AVERAGEMASS 302.27876000000003 |
| − | SMILES COc(c(O)3)c(O)c(C(=O)2)c(c3)OC(C2)c(c1)ccc(O)c1 | + | SMILES COc(c(O)3)c(O)c(C(=O)2)c(c3)OC(C2)c(c1)ccc(O)c1 |
M END | M END | ||
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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
-1.8949 0.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8949 -0.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3386 -0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7823 -0.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7823 0.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3386 0.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2260 -0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3303 -0.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3303 0.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2260 0.4661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8864 0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4534 0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0203 0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0203 1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4534 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8864 1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2260 -1.3624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4865 0.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6094 1.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3386 -1.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6094 -0.4060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8949 -0.8185 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
18 1 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 ^OCH3
M SBV 1 23 -7.0190 2.4639
S SKP 8
ID FL2FEANS0002
KNApSAcK_ID C00008233
NAME 5,7,4'-Trihydroxy-6-methoxyflavanone
CAS_RN 94942-49-1
FORMULA C16H14O6
EXACTMASS 302.07903818
AVERAGEMASS 302.27876000000003
SMILES COc(c(O)3)c(O)c(C(=O)2)c(c3)OC(C2)c(c1)ccc(O)c1
M END
