Mol:FL1DAAGS0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8942 0.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8942 0.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8942 -0.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8942 -0.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3938 -0.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3938 -0.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1067 -0.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1067 -0.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1067 0.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1067 0.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3938 0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3938 0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5702 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5702 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1076 -0.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1076 -0.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1076 0.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1076 0.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6071 0.8186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6071 0.8186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6077 0.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6077 0.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1221 0.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1221 0.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6364 0.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6364 0.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6364 1.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6364 1.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1221 1.7093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1221 1.7093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6077 1.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6077 1.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5702 -0.8729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5702 -0.8729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3943 0.8184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3943 0.8184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1496 1.7086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1496 1.7086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3938 -0.9147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3938 -0.9147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9355 -1.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9355 -1.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4229 -0.8804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4229 -0.8804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0218 -1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0218 -1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7110 -1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7110 -1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2236 -1.7093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2236 -1.7093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6247 -1.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6247 -1.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0785 -1.6832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0785 -1.6832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1496 -1.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1496 -1.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8371 -1.7093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8371 -1.7093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4202 -0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4202 -0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6233 -0.6100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6233 -0.6100 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 |
| − | 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 |
| − | 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 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 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 21 26 1 1 0 0 0 | + | 21 26 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 21 20 1 0 0 0 0 | + | 21 20 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 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 32 | + | M SBL 1 1 32 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 32 -6.4138 5.3149 | + | M SBV 1 32 -6.4138 5.3149 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DAAGS0002 | + | ID FL1DAAGS0002 |
| − | KNApSAcK_ID C00000990 | + | KNApSAcK_ID C00000990 |
| − | NAME Phloridzin;Phloretin 2'-glucoside | + | NAME Phloridzin;Phloretin 2'-glucoside |
| − | CAS_RN 60-81-1 | + | CAS_RN 60-81-1 |
| − | FORMULA C21H24O10 | + | FORMULA C21H24O10 |
| − | EXACTMASS 436.136946988 | + | EXACTMASS 436.136946988 |
| − | AVERAGEMASS 436.40926 | + | AVERAGEMASS 436.40926 |
| − | SMILES C(C1Oc(c2)c(C(=O)CCc(c3)ccc(O)c3)c(cc(O)2)O)(O)C(O)C(O)C(O1)CO | + | SMILES C(C1Oc(c2)c(C(=O)CCc(c3)ccc(O)c3)c(cc(O)2)O)(O)C(O)C(O)C(O1)CO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-0.8942 0.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8942 -0.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3938 -0.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1067 -0.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1067 0.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3938 0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5702 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1076 -0.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1076 0.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6071 0.8186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6077 0.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1221 0.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6364 0.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6364 1.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1221 1.7093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6077 1.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5702 -0.8729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3943 0.8184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1496 1.7086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3938 -0.9147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9355 -1.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4229 -0.8804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0218 -1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7110 -1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2236 -1.7093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6247 -1.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0785 -1.6832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1496 -1.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8371 -1.7093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4202 -0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6233 -0.6100 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
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 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
1 18 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
21 26 1 1 0 0 0
26 27 1 0 0 0 0
24 28 1 0 0 0 0
25 29 1 0 0 0 0
21 20 1 0 0 0 0
23 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 32
M SMT 1 ^CH2OH
M SBV 1 32 -6.4138 5.3149
S SKP 8
ID FL1DAAGS0002
KNApSAcK_ID C00000990
NAME Phloridzin;Phloretin 2'-glucoside
CAS_RN 60-81-1
FORMULA C21H24O10
EXACTMASS 436.136946988
AVERAGEMASS 436.40926
SMILES C(C1Oc(c2)c(C(=O)CCc(c3)ccc(O)c3)c(cc(O)2)O)(O)C(O)C(O)C(O1)CO
M END
