Mol:FL2FBCGM0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.5181 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5181 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5181 -0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5181 -0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0382 -1.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0382 -1.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5945 -0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5945 -0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5945 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5945 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0382 0.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0382 0.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1508 -1.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1508 -1.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7071 -0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7071 -0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7071 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7071 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1508 0.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1508 0.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2632 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2632 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8302 -0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8302 -0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3972 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3972 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3972 0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3972 0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8302 1.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8302 1.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2632 0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2632 0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1508 -1.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1508 -1.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0742 -1.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0742 -1.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9955 0.2906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9955 0.2906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8302 1.6758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8302 1.6758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8227 1.0822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8227 1.0822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1792 0.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1792 0.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8715 0.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8715 0.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2761 0.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2761 0.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6844 0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6844 0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9921 0.7383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9921 0.7383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5875 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5875 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1307 -0.1683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1307 -0.1683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3937 0.3584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3937 0.3584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8227 0.5791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8227 0.5791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6790 1.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6790 1.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8821 1.0348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8821 1.0348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3982 -1.2633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3982 -1.2633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3163 -1.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3163 -1.6758 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 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 3 33 1 0 0 0 0 | + | 3 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 34 -6.3599 6.9410 | + | M SBV 1 34 -6.3599 6.9410 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 33 34 | + | M SAL 2 2 33 34 |
| − | M SBL 2 1 36 | + | M SBL 2 1 36 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 36 -6.7048 6.1146 | + | M SBV 2 36 -6.7048 6.1146 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FBCGM0001 | + | ID FL2FBCGM0001 |
| − | KNApSAcK_ID C00008313 | + | KNApSAcK_ID C00008313 |
| − | NAME 7,3',4'-Trihydroxy-5-methoxy-6-C-methylflavanone 7-O-glucoside | + | NAME 7,3',4'-Trihydroxy-5-methoxy-6-C-methylflavanone 7-O-glucoside |
| − | CAS_RN 85687-89-4 | + | CAS_RN 85687-89-4 |
| − | FORMULA C23H26O11 | + | FORMULA C23H26O11 |
| − | EXACTMASS 478.147511674 | + | EXACTMASS 478.147511674 |
| − | AVERAGEMASS 478.44594 | + | AVERAGEMASS 478.44594 |
| − | SMILES c(c2OC)(C)c(cc(O3)c2C(CC3c(c4)ccc(c4O)O)=O)OC(C(O)1)OC(CO)C(C1O)O | + | SMILES c(c2OC)(C)c(cc(O3)c2C(CC3c(c4)ccc(c4O)O)=O)OC(C(O)1)OC(CO)C(C1O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-0.5181 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5181 -0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0382 -1.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5945 -0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5945 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0382 0.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1508 -1.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7071 -0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7071 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1508 0.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2632 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8302 -0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3972 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3972 0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8302 1.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2632 0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1508 -1.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0742 -1.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9955 0.2906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8302 1.6758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8227 1.0822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1792 0.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8715 0.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2761 0.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6844 0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9921 0.7383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5875 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1307 -0.1683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3937 0.3584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8227 0.5791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6790 1.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8821 1.0348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3982 -1.2633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3163 -1.6758 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
2 18 1 0 0 0 0
19 1 1 0 0 0 0
15 20 1 0 0 0 0
14 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
19 25 1 0 0 0 0
24 28 1 0 0 0 0
23 29 1 0 0 0 0
22 30 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
3 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 ^CH2OH
M SBV 1 34 -6.3599 6.9410
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 36
M SMT 2 OCH3
M SBV 2 36 -6.7048 6.1146
S SKP 8
ID FL2FBCGM0001
KNApSAcK_ID C00008313
NAME 7,3',4'-Trihydroxy-5-methoxy-6-C-methylflavanone 7-O-glucoside
CAS_RN 85687-89-4
FORMULA C23H26O11
EXACTMASS 478.147511674
AVERAGEMASS 478.44594
SMILES c(c2OC)(C)c(cc(O3)c2C(CC3c(c4)ccc(c4O)O)=O)OC(C(O)1)OC(CO)C(C1O)O
M END
