Mol:FL4DA9NS0012
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4701 0.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4701 0.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7574 1.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7574 1.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4669 0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4669 0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7501 -0.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7501 -0.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0375 0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0375 0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0411 0.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0411 0.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3212 -0.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3212 -0.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3914 0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3914 0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3878 0.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3878 0.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3285 1.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3285 1.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0416 1.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0416 1.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7576 0.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7576 0.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4705 1.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4705 1.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4673 2.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4673 2.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7512 2.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7512 2.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0384 2.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0384 2.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3201 -1.0344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3201 -1.0344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7501 -1.1056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7501 -1.1056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0625 1.1789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0625 1.1789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2168 -0.4081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2168 -0.4081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2168 -1.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2168 -1.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5023 -1.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5023 -1.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9312 -1.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9312 -1.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9312 -2.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9312 -2.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6457 -1.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6457 -1.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0625 0.8941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0625 0.8941 0.0000 O 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 10 6 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 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 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 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 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 |
| − | 13 26 1 0 0 0 0 | + | 13 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DA9NS0012 | + | ID FL4DA9NS0012 |
| − | KNApSAcK_ID C00014374 | + | KNApSAcK_ID C00014374 |
| − | NAME 5,7,3'-Trihydroxy-3-O-isobutyrylflavanone | + | NAME 5,7,3'-Trihydroxy-3-O-isobutyrylflavanone |
| − | CAS_RN 160012-84-0 | + | CAS_RN 160012-84-0 |
| − | FORMULA C19H18O7 | + | FORMULA C19H18O7 |
| − | EXACTMASS 358.10525293 | + | EXACTMASS 358.10525293 |
| − | AVERAGEMASS 358.34202000000005 | + | AVERAGEMASS 358.34202000000005 |
| − | SMILES c(c12)(O)cc(O)cc(OC(c(c3)cc(O)cc3)C(C2=O)OC(=O)C(C)C)1 | + | SMILES c(c12)(O)cc(O)cc(OC(c(c3)cc(O)cc3)C(C2=O)OC(=O)C(C)C)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.4701 0.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7574 1.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4669 0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7501 -0.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0375 0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0411 0.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3212 -0.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3914 0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3878 0.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3285 1.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0416 1.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7576 0.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4705 1.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4673 2.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7512 2.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0384 2.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3201 -1.0344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7501 -1.1056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0625 1.1789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2168 -0.4081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2168 -1.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5023 -1.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9312 -1.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9312 -2.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6457 -1.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0625 0.8941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 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 6 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
4 18 1 0 0 0 0
8 20 1 0 0 0 0
1 19 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
13 26 1 0 0 0 0
S SKP 8
ID FL4DA9NS0012
KNApSAcK_ID C00014374
NAME 5,7,3'-Trihydroxy-3-O-isobutyrylflavanone
CAS_RN 160012-84-0
FORMULA C19H18O7
EXACTMASS 358.10525293
AVERAGEMASS 358.34202000000005
SMILES c(c12)(O)cc(O)cc(OC(c(c3)cc(O)cc3)C(C2=O)OC(=O)C(C)C)1
M END
