Mol:FLIFHXNF0010
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 35 0 0 0 0 0 0 0 0999 V2000 | + | 31 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8894 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8894 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8894 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8894 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3331 -0.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3331 -0.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7768 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7768 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7768 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7768 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3331 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3331 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2205 -0.7385 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.2205 -0.7385 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.3358 -0.4174 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.3358 -0.4174 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.3358 0.2250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.3358 0.2250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.2205 0.5462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2205 0.5462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8919 -0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8919 -0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8919 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8919 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4867 -1.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4867 -1.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0815 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0815 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0815 -0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0815 -0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4867 -0.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4867 -0.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2205 -1.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2205 -1.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5138 0.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5138 0.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8921 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8921 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3358 -1.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3358 -1.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4666 1.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4666 1.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1055 1.2417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.1055 1.2417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.3667 0.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3667 0.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6055 2.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6055 2.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1055 2.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1055 2.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6055 2.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6055 2.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1055 2.9737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1055 2.9737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0815 -1.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0815 -1.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0815 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0815 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0693 -1.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0693 -1.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7838 -2.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7838 -2.3527 0.0000 C 0 0 0 0 0 0 0 0 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 9 1 0 0 0 0 | + | 19 9 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 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 1 1 0 0 0 0 | + | 23 1 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 14 28 1 0 0 0 0 | + | 14 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 13 30 1 0 0 0 0 | + | 13 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 26 27 | + | M SAL 3 2 26 27 |
| − | M SBL 3 1 30 | + | M SBL 3 1 30 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 30 -3.0329 2.201 | + | M SVB 3 30 -3.0329 2.201 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 30 31 | + | M SAL 2 2 30 31 |
| − | M SBL 2 1 34 | + | M SBL 2 1 34 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 34 1.0693 -1.9402 | + | M SVB 2 34 1.0693 -1.9402 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 28 29 | + | M SAL 1 2 28 29 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 32 2.3185 -1.6315 | + | M SVB 1 32 2.3185 -1.6315 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIFHXNF0010 | + | ID FLIFHXNF0010 |
| − | KNApSAcK_ID C00009593 | + | KNApSAcK_ID C00009593 |
| − | NAME 12-Dihydrodalbinol | + | NAME 12-Dihydrodalbinol |
| − | CAS_RN 97673-80-8 | + | CAS_RN 97673-80-8 |
| − | FORMULA C23H24O8 | + | FORMULA C23H24O8 |
| − | EXACTMASS 428.14711774399996 | + | EXACTMASS 428.14711774399996 |
| − | AVERAGEMASS 428.43186000000003 | + | AVERAGEMASS 428.43186000000003 |
| − | SMILES C(O1)C(O5)C(O)(C(O)c(c53)ccc(O4)c(CC4C(CO)=C)3)c(c2)c1cc(c2OC)OC | + | SMILES C(O1)C(O5)C(O)(C(O)c(c53)ccc(O4)c(CC4C(CO)=C)3)c(c2)c1cc(c2OC)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 35 0 0 0 0 0 0 0 0999 V2000
-1.8894 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8894 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3331 -0.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7768 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7768 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3331 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2205 -0.7385 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.3358 -0.4174 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.3358 0.2250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.2205 0.5462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8919 -0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8919 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4867 -1.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0815 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0815 -0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4867 -0.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2205 -1.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5138 0.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8921 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3358 -1.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4666 1.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1055 1.2417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.3667 0.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6055 2.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1055 2.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6055 2.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1055 2.9737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0815 -1.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0815 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0693 -1.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7838 -2.3527 0.0000 C 0 0 0 0 0 0 0 0 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
8 11 1 0 0 0 0
11 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 11 2 0 0 0 0
7 17 1 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
19 9 1 0 0 0 0
8 20 1 0 0 0 0
1 2 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 1 1 0 0 0 0
22 24 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
26 27 1 0 0 0 0
14 28 1 0 0 0 0
28 29 1 0 0 0 0
13 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 26 27
M SBL 3 1 30
M SMT 3 CH2OH
M SVB 3 30 -3.0329 2.201
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 30 31
M SBL 2 1 34
M SMT 2 OCH3
M SVB 2 34 1.0693 -1.9402
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 28 29
M SBL 1 1 32
M SMT 1 OCH3
M SVB 1 32 2.3185 -1.6315
S SKP 8
ID FLIFHXNF0010
KNApSAcK_ID C00009593
NAME 12-Dihydrodalbinol
CAS_RN 97673-80-8
FORMULA C23H24O8
EXACTMASS 428.14711774399996
AVERAGEMASS 428.43186000000003
SMILES C(O1)C(O5)C(O)(C(O)c(c53)ccc(O4)c(CC4C(CO)=C)3)c(c2)c1cc(c2OC)OC
M END
