Mol:FL4DAAGS0009
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 |
| − | -3.5502 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5502 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0293 -1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0293 -1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5084 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5084 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5084 -0.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5084 -0.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0293 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0293 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5502 -0.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5502 -0.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9875 -1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9875 -1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4666 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4666 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4666 -0.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4666 -0.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9875 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9875 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9875 -1.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9875 -1.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8869 0.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8869 0.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3582 -0.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3582 -0.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1705 0.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1705 0.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1705 0.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1705 0.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3582 1.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3582 1.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8869 0.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8869 0.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0833 0.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0833 0.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9984 -1.3684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9984 -1.3684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6992 1.0249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6992 1.0249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0293 -1.6933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0293 -1.6933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0578 1.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0578 1.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7570 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7570 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3355 1.0904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3355 1.0904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9175 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9175 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2184 1.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2184 1.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6398 1.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6398 1.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4991 1.2964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4991 1.2964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8780 1.6933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8780 1.6933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6524 1.1955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6524 1.1955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3689 0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3689 0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0833 0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0833 0.5230 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 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 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 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 23 20 1 0 0 0 0 | + | 23 20 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 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 -6.7510 2.9320 | + | M SBV 1 34 -6.7510 2.9320 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DAAGS0009 | + | ID FL4DAAGS0009 |
| − | KNApSAcK_ID C00008677 | + | KNApSAcK_ID C00008677 |
| − | NAME Aromadendrin 4'-glucoside | + | NAME Aromadendrin 4'-glucoside |
| − | CAS_RN 87314-52-1 | + | CAS_RN 87314-52-1 |
| − | FORMULA C21H22O11 | + | FORMULA C21H22O11 |
| − | EXACTMASS 450.116211546 | + | EXACTMASS 450.116211546 |
| − | AVERAGEMASS 450.39278 | + | AVERAGEMASS 450.39278 |
| − | SMILES c(c3)(ccc(OC(O4)C(O)C(O)C(O)C4CO)c3)C(C2O)Oc(c1)c(C2=O)c(cc(O)1)O | + | SMILES c(c3)(ccc(OC(O4)C(O)C(O)C(O)C4CO)c3)C(C2O)Oc(c1)c(C2=O)c(cc(O)1)O |
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
-3.5502 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0293 -1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5084 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5084 -0.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0293 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5502 -0.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9875 -1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4666 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4666 -0.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9875 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9875 -1.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8869 0.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3582 -0.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1705 0.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1705 0.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3582 1.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8869 0.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0833 0.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9984 -1.3684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6992 1.0249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0293 -1.6933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0578 1.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7570 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3355 1.0904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9175 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2184 1.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6398 1.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4991 1.2964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8780 1.6933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6524 1.1955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3689 0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0833 0.5230 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
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 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 12 1 0 0 0 0
6 18 1 0 0 0 0
8 19 1 0 0 0 0
15 20 1 0 0 0 0
2 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 20 1 0 0 0 0
25 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 -6.7510 2.9320
S SKP 8
ID FL4DAAGS0009
KNApSAcK_ID C00008677
NAME Aromadendrin 4'-glucoside
CAS_RN 87314-52-1
FORMULA C21H22O11
EXACTMASS 450.116211546
AVERAGEMASS 450.39278
SMILES c(c3)(ccc(OC(O4)C(O)C(O)C(O)C4CO)c3)C(C2O)Oc(c1)c(C2=O)c(cc(O)1)O
M END
