Mol:FL2FACCS0001
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 |
| − | -2.0227 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0227 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0227 -1.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0227 -1.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4664 -1.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4664 -1.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9101 -1.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9101 -1.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9101 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9101 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4664 -0.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4664 -0.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3538 -1.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3538 -1.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2025 -1.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2025 -1.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2025 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2025 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3538 -0.5145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3538 -0.5145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3538 -2.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3538 -2.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5788 -0.5147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5788 -0.5147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4664 -2.4414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4664 -2.4414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8205 -0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8205 -0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4067 -0.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4067 -0.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9929 -0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9929 -0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9929 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9929 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4067 0.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4067 0.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8205 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8205 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5788 0.5211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5788 0.5211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1179 1.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1179 1.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7234 1.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7234 1.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4665 0.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4665 0.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4597 0.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4597 0.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9963 0.5256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9963 0.5256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3014 1.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3014 1.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2845 2.4414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2845 2.4414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7583 2.0757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7583 2.0757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1020 0.3214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1020 0.3214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4067 1.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4067 1.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7957 1.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7957 1.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0812 0.9831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0812 0.9831 0.0000 O 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 3 13 1 0 0 0 0 | + | 3 13 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 |
| − | 14 9 1 0 0 0 0 | + | 14 9 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 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 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 18 30 1 0 0 0 0 | + | 18 30 1 0 0 0 0 |
| − | 26 31 1 0 0 0 0 | + | 26 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 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 -7.1641 5.7675 | + | M SBV 1 34 -7.1641 5.7675 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FACCS0001 | + | ID FL2FACCS0001 |
| − | KNApSAcK_ID C00006362 | + | KNApSAcK_ID C00006362 |
| − | NAME 8-C-Glucopyranosyleriodictylol | + | NAME 8-C-Glucopyranosyleriodictylol |
| − | CAS_RN 153733-96-1 | + | CAS_RN 153733-96-1 |
| − | FORMULA C21H22O11 | + | FORMULA C21H22O11 |
| − | EXACTMASS 450.116211546 | + | EXACTMASS 450.116211546 |
| − | AVERAGEMASS 450.39278 | + | AVERAGEMASS 450.39278 |
| − | SMILES C(C(O)1)(c(c(O)4)c(O2)c(c(O)c4)C(=O)CC2c(c3)cc(c(O)c3)O)OC(CO)C(O)C1O | + | SMILES C(C(O)1)(c(c(O)4)c(O2)c(c(O)c4)C(=O)CC2c(c3)cc(c(O)c3)O)OC(CO)C(O)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
-2.0227 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0227 -1.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4664 -1.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9101 -1.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9101 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4664 -0.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3538 -1.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2025 -1.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2025 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3538 -0.5145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3538 -2.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5788 -0.5147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4664 -2.4414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8205 -0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4067 -0.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9929 -0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9929 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4067 0.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8205 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5788 0.5211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1179 1.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7234 1.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4665 0.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4597 0.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9963 0.5256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3014 1.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2845 2.4414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7583 2.0757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1020 0.3214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4067 1.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7957 1.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0812 0.9831 0.0000 O 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
7 11 2 0 0 0 0
1 12 1 0 0 0 0
3 13 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
14 9 1 0 0 0 0
17 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
6 24 1 0 0 0 0
18 30 1 0 0 0 0
26 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 31 32
M SBL 1 1 34
M SMT 1 CH2OH
M SBV 1 34 -7.1641 5.7675
S SKP 8
ID FL2FACCS0001
KNApSAcK_ID C00006362
NAME 8-C-Glucopyranosyleriodictylol
CAS_RN 153733-96-1
FORMULA C21H22O11
EXACTMASS 450.116211546
AVERAGEMASS 450.39278
SMILES C(C(O)1)(c(c(O)4)c(O2)c(c(O)c4)C(=O)CC2c(c3)cc(c(O)c3)O)OC(CO)C(O)C1O
M END
