Mol:FL2FA9NM0015
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 |
| − | -2.4979 -0.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4979 -0.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4966 -1.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4966 -1.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7799 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7799 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0677 -1.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0677 -1.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0678 -0.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0678 -0.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7824 0.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7824 0.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3510 -1.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3510 -1.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3612 -1.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3612 -1.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3600 -0.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3600 -0.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3534 0.2236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3534 0.2236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0766 0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0766 0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7901 -0.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7901 -0.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5045 0.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5045 0.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5043 1.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5043 1.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7898 1.4614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7898 1.4614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0754 1.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0754 1.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3552 -2.2514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3552 -2.2514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7842 -2.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7842 -2.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2102 0.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2102 0.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2102 -0.1835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2102 -0.1835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7898 2.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7898 2.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1972 -1.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1972 -1.4187 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 |
| − | 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NM0015 | + | ID FL2FA9NM0015 |
| − | KNApSAcK_ID C00014149 | + | KNApSAcK_ID C00014149 |
| − | NAME 5,7,3',5'-Tetrahydroxy-6-methylflavanone | + | NAME 5,7,3',5'-Tetrahydroxy-6-methylflavanone |
| − | CAS_RN 479676-94-3 | + | CAS_RN 479676-94-3 |
| − | FORMULA C16H14O6 | + | FORMULA C16H14O6 |
| − | EXACTMASS 302.07903818 | + | EXACTMASS 302.07903818 |
| − | AVERAGEMASS 302.27876000000003 | + | AVERAGEMASS 302.27876000000003 |
| − | SMILES Oc(c3)cc(cc(O)3)C(C2)Oc(c1)c(C(=O)2)c(O)c(C)c(O)1 | + | SMILES Oc(c3)cc(cc(O)3)C(C2)Oc(c1)c(C(=O)2)c(O)c(C)c(O)1 |
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
-2.4979 -0.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4966 -1.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7799 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0677 -1.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0678 -0.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7824 0.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3510 -1.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3612 -1.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3600 -0.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3534 0.2236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0766 0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7901 -0.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5045 0.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5043 1.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7898 1.4614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0754 1.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3552 -2.2514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7842 -2.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2102 0.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2102 -0.1835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7898 2.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1972 -1.4187 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
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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
13 20 1 0 0 0 0
15 21 1 0 0 0 0
2 22 1 0 0 0 0
S SKP 8
ID FL2FA9NM0015
KNApSAcK_ID C00014149
NAME 5,7,3',5'-Tetrahydroxy-6-methylflavanone
CAS_RN 479676-94-3
FORMULA C16H14O6
EXACTMASS 302.07903818
AVERAGEMASS 302.27876000000003
SMILES Oc(c3)cc(cc(O)3)C(C2)Oc(c1)c(C(=O)2)c(O)c(C)c(O)1
M END
