Mol:FL4DA9NI0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.2180 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2180 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7389 -0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7389 -0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2598 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2598 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2598 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2598 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7389 0.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7389 0.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2180 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2180 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7807 -0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7807 -0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3016 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3016 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3016 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3016 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7807 0.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7807 0.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7807 -1.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7807 -1.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7389 -1.3721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7389 -1.3721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8857 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8857 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4076 0.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4076 0.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9295 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9295 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9295 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9295 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4076 1.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4076 1.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8857 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8857 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8376 -1.0066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8376 -1.0066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3028 0.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3028 0.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3023 -0.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3023 -0.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8227 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8227 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3419 -0.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3419 -0.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8611 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8611 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3419 -1.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3419 -1.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3791 -0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3791 -0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8959 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8959 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4127 -0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4127 -0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9295 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9295 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4127 -1.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4127 -1.3663 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
| − | 9 13 1 6 0 0 0 | + | 9 13 1 6 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 8 19 1 6 0 0 0 | + | 8 19 1 6 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 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 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DA9NI0004 | + | ID FL4DA9NI0004 |
| − | KNApSAcK_ID C00008646 | + | KNApSAcK_ID C00008646 |
| − | NAME (2R,3S)-3,5,7-Trihydroxy-6-geranylflavanone | + | NAME (2R,3S)-3,5,7-Trihydroxy-6-geranylflavanone |
| − | CAS_RN 89648-69-1 | + | CAS_RN 89648-69-1 |
| − | FORMULA C25H28O5 | + | FORMULA C25H28O5 |
| − | EXACTMASS 408.193674006 | + | EXACTMASS 408.193674006 |
| − | AVERAGEMASS 408.48682 | + | AVERAGEMASS 408.48682 |
| − | SMILES c(C(=O)3)(c1OC(C(O)3)c(c2)cccc2)c(c(CC=C(C)CCC=C(C)C)c(c1)O)O | + | SMILES c(C(=O)3)(c1OC(C(O)3)c(c2)cccc2)c(c(CC=C(C)CCC=C(C)C)c(c1)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
0.2180 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7389 -0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2598 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2598 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7389 0.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2180 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7807 -0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3016 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3016 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7807 0.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7807 -1.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7389 -1.3721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8857 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4076 0.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9295 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9295 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4076 1.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8857 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8376 -1.0066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3028 0.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3023 -0.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8227 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3419 -0.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8611 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3419 -1.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3791 -0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8959 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4127 -0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9295 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4127 -1.3663 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
7 11 2 0 0 0 0
2 12 1 0 0 0 0
9 13 1 6 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
8 19 1 6 0 0 0
6 20 1 0 0 0 0
1 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
24 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
S SKP 8
ID FL4DA9NI0004
KNApSAcK_ID C00008646
NAME (2R,3S)-3,5,7-Trihydroxy-6-geranylflavanone
CAS_RN 89648-69-1
FORMULA C25H28O5
EXACTMASS 408.193674006
AVERAGEMASS 408.48682
SMILES c(C(=O)3)(c1OC(C(O)3)c(c2)cccc2)c(c(CC=C(C)CCC=C(C)C)c(c1)O)O
M END
