Mol:FL2FA8GS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.2298 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2298 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2911 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2911 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8119 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8119 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8119 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8119 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2911 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2911 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2298 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2298 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3328 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3328 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8537 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8537 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8537 0.1439 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.8537 0.1439 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.3328 0.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3328 0.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3328 -1.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3328 -1.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2911 -1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2911 -1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7365 0.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7365 0.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4334 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4334 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9621 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9621 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4909 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4909 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4909 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4909 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9621 1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9621 1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4334 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4334 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9047 1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9047 1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1037 -0.0035 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.1037 -0.0035 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.7575 -0.4605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.7575 -0.4605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.2589 -0.2666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.2589 -0.2666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.7392 -0.2724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.7392 -0.2724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.1274 0.0882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1274 0.0882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6367 -0.0947 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.6367 -0.0947 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.5489 0.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5489 0.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0843 -0.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0843 -0.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9732 -0.7462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9732 -0.7462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9063 0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9063 0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8921 0.8001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8921 0.8001 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 |
| − | 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 |
| − | 6 13 1 0 0 0 0 | + | 6 13 1 0 0 0 0 |
| − | 9 14 1 0 0 0 0 | + | 9 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 13 1 0 0 0 0 | + | 24 13 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SVB 1 33 -2.9063 0.6324 | + | M SVB 1 33 -2.9063 0.6324 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA8GS0003 | + | ID FL2FA8GS0003 |
| − | KNApSAcK_ID C00008414 | + | KNApSAcK_ID C00008414 |
| − | NAME 5,7,2'-Trihydroxyflavanone 7-glucoside | + | NAME 5,7,2'-Trihydroxyflavanone 7-glucoside |
| − | CAS_RN 27960-47-0 | + | CAS_RN 27960-47-0 |
| − | FORMULA C21H22O10 | + | FORMULA C21H22O10 |
| − | EXACTMASS 434.121296924 | + | EXACTMASS 434.121296924 |
| − | AVERAGEMASS 434.39338 | + | AVERAGEMASS 434.39338 |
| − | SMILES c(C(C4)Oc(c3C(=O)4)cc(cc(O)3)O[C@H](O2)[C@@H](O)[C@@H](O)[C@@H](O)C2CO)(c(O)1)cccc1 | + | SMILES c(C(C4)Oc(c3C(=O)4)cc(cc(O)3)O[C@H](O2)[C@@H](O)[C@@H](O)[C@@H](O)C2CO)(c(O)1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-0.2298 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2911 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8119 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8119 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2911 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2298 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3328 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8537 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8537 0.1439 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.3328 0.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3328 -1.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2911 -1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7365 0.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4334 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9621 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4909 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4909 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9621 1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4334 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9047 1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1037 -0.0035 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.7575 -0.4605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2589 -0.2666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7392 -0.2724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1274 0.0882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6367 -0.0947 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.5489 0.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0843 -0.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9732 -0.7462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9063 0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8921 0.8001 0.0000 O 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
6 13 1 0 0 0 0
9 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
19 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 13 1 0 0 0 0
26 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 CH2OH
M SVB 1 33 -2.9063 0.6324
S SKP 8
ID FL2FA8GS0003
KNApSAcK_ID C00008414
NAME 5,7,2'-Trihydroxyflavanone 7-glucoside
CAS_RN 27960-47-0
FORMULA C21H22O10
EXACTMASS 434.121296924
AVERAGEMASS 434.39338
SMILES c(C(C4)Oc(c3C(=O)4)cc(cc(O)3)O[C@H](O2)[C@@H](O)[C@@H](O)[C@@H](O)C2CO)(c(O)1)cccc1
M END
