Mol:FLIA2AGS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2831 0.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2831 0.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7268 0.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7268 0.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1705 0.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1705 0.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3856 0.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3856 0.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3856 -0.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3856 -0.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9624 -0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9624 -0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5391 -0.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5391 -0.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5391 0.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5391 0.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9624 0.8933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9624 0.8933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7266 -0.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7266 -0.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1705 -0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1705 -0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9624 -1.1041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9624 -1.1041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1154 -0.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1154 -0.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1154 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1154 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6668 -1.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6668 -1.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2181 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2181 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2181 -0.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2181 -0.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6668 -0.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6668 -0.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2556 0.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2556 0.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8845 0.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8845 0.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3500 0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3500 0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8342 0.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8342 0.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2090 0.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2090 0.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6766 0.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6766 0.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7695 0.4610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7695 0.4610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4631 0.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4631 0.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0437 -0.0386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0437 -0.0386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7695 -1.3933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7695 -1.3933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0750 1.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0750 1.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2782 1.1798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2782 1.1798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4410 0.0102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4410 0.0102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7266 -0.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7266 -0.4023 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 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
| − | 2 10 1 0 0 0 0 | + | 2 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 5 1 0 0 0 0 | + | 11 5 1 0 0 0 0 |
| − | 6 12 2 0 0 0 0 | + | 6 12 2 0 0 0 0 |
| − | 7 13 1 0 0 0 0 | + | 7 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 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 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
| − | 16 28 1 0 0 0 0 | + | 16 28 1 0 0 0 0 |
| − | 24 29 1 0 0 0 0 | + | 24 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 10 31 1 0 0 0 0 | + | 10 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 32 -9.9675 4.2879 | + | M SBV 1 32 -9.9675 4.2879 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 31 32 | + | M SAL 2 2 31 32 |
| − | M SBL 2 1 34 | + | M SBL 2 1 34 |
| − | M SMT 2 ^OCH3 | + | M SMT 2 ^OCH3 |
| − | M SBV 2 34 -10.2835 3.5958 | + | M SBV 2 34 -10.2835 3.5958 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA2AGS0003 | + | ID FLIA2AGS0003 |
| − | KNApSAcK_ID C00010089 | + | KNApSAcK_ID C00010089 |
| − | NAME Glycitein 7-O-glucoside;Glycitin | + | NAME Glycitein 7-O-glucoside;Glycitin |
| − | CAS_RN 40246-10-4 | + | CAS_RN 40246-10-4 |
| − | FORMULA C22H22O10 | + | FORMULA C22H22O10 |
| − | EXACTMASS 446.121296924 | + | EXACTMASS 446.121296924 |
| − | AVERAGEMASS 446.40408 | + | AVERAGEMASS 446.40408 |
| − | SMILES OC(C1O)C(Oc(c2)c(cc(C3=O)c2OC=C3c(c4)ccc(c4)O)OC)OC(CO)C1O | + | SMILES OC(C1O)C(Oc(c2)c(cc(C3=O)c2OC=C3c(c4)ccc(c4)O)OC)OC(CO)C1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.2831 0.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7268 0.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1705 0.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3856 0.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3856 -0.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9624 -0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5391 -0.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5391 0.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9624 0.8933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7266 -0.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1705 -0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9624 -1.1041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1154 -0.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1154 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6668 -1.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2181 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2181 -0.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6668 -0.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2556 0.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8845 0.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3500 0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8342 0.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2090 0.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6766 0.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7695 0.4610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4631 0.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0437 -0.0386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7695 -1.3933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0750 1.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2782 1.1798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4410 0.0102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7266 -0.4023 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 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 4 1 0 0 0 0
2 10 1 0 0 0 0
10 11 2 0 0 0 0
11 5 1 0 0 0 0
6 12 2 0 0 0 0
7 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 1 1 0 0 0 0
16 28 1 0 0 0 0
24 29 1 0 0 0 0
29 30 1 0 0 0 0
10 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 ^CH2OH
M SBV 1 32 -9.9675 4.2879
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 34
M SMT 2 ^OCH3
M SBV 2 34 -10.2835 3.5958
S SKP 8
ID FLIA2AGS0003
KNApSAcK_ID C00010089
NAME Glycitein 7-O-glucoside;Glycitin
CAS_RN 40246-10-4
FORMULA C22H22O10
EXACTMASS 446.121296924
AVERAGEMASS 446.40408
SMILES OC(C1O)C(Oc(c2)c(cc(C3=O)c2OC=C3c(c4)ccc(c4)O)OC)OC(CO)C1O
M END
