Mol:FLNACBGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.7108 1.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7108 1.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1545 1.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1545 1.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4016 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4016 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4016 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4016 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9783 0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9783 0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5551 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5551 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5551 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5551 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9783 1.7803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9783 1.7803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7108 0.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7108 0.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1545 0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1545 0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9783 -0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9783 -0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4254 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4254 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4254 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4254 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9783 -1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9783 -1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5313 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5313 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5313 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5313 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1314 1.7801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1314 1.7801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1522 -0.1673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1522 -0.1673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9312 -0.4846 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -1.9312 -0.4846 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -1.5730 -0.9575 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.5730 -0.9575 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.0572 -0.7569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.0572 -0.7569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -0.5595 -0.7515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.5595 -0.7515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -0.9212 -0.3898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9212 -0.3898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4481 -0.5790 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.4481 -0.5790 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.7580 0.1619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7580 0.1619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1314 -0.9847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1314 -0.9847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7617 -1.2530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7617 -1.2530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0680 2.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0680 2.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5679 2.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5679 2.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5401 -1.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5401 -1.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2546 -2.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2546 -2.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3855 -0.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3855 -0.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1558 -0.8683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1558 -0.8683 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 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 3 1 0 0 0 0 | + | 8 3 1 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 5 11 1 0 0 0 0 | + | 5 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 |
| − | 10 18 1 0 0 0 0 | + | 10 18 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 18 1 0 0 0 0 | + | 22 18 1 0 0 0 0 |
| − | 1 28 1 0 0 0 0 | + | 1 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 14 30 1 0 0 0 0 | + | 14 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 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 32 33 | + | M SAL 3 2 32 33 |
| − | M SBL 3 1 35 | + | M SBL 3 1 35 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 35 -0.7865 -0.3437 | + | M SVB 3 35 -0.7865 -0.3437 |
| − | 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 33 | + | M SBL 2 1 33 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 33 0.5401 -1.6535 | + | M SVB 2 33 0.5401 -1.6535 |
| − | 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 31 | + | M SBL 1 1 31 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 31 -1.068 2.066 | + | M SVB 1 31 -1.068 2.066 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNACBGS0001 | + | ID FLNACBGS0001 |
| − | KNApSAcK_ID C00010246 | + | KNApSAcK_ID C00010246 |
| − | NAME 5-Hydroxy-7,4'-dimethoxy-4-phenylcoumarin 5-O-galactoside | + | NAME 5-Hydroxy-7,4'-dimethoxy-4-phenylcoumarin 5-O-galactoside |
| − | CAS_RN 117783-73-0 | + | CAS_RN 117783-73-0 |
| − | FORMULA C23H24O10 | + | FORMULA C23H24O10 |
| − | EXACTMASS 460.136946988 | + | EXACTMASS 460.136946988 |
| − | AVERAGEMASS 460.43066 | + | AVERAGEMASS 460.43066 |
| − | SMILES O(C)c(c1)ccc(C(c32)=CC(=O)Oc2cc(cc(O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)3)OC)c1 | + | SMILES O(C)c(c1)ccc(C(c32)=CC(=O)Oc2cc(cc(O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)3)OC)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-0.7108 1.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1545 1.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4016 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4016 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9783 0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5551 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5551 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9783 1.7803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7108 0.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1545 0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9783 -0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4254 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4254 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9783 -1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5313 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5313 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1314 1.7801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1522 -0.1673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9312 -0.4846 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5730 -0.9575 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0572 -0.7569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5595 -0.7515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.9212 -0.3898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 -0.5790 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.7580 0.1619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1314 -0.9847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7617 -1.2530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0680 2.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5679 2.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5401 -1.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2546 -2.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3855 -0.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1558 -0.8683 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 7 1 0 0 0 0
7 8 1 0 0 0 0
8 3 1 0 0 0 0
1 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
5 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
10 18 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 18 1 0 0 0 0
1 28 1 0 0 0 0
28 29 1 0 0 0 0
14 30 1 0 0 0 0
30 31 1 0 0 0 0
24 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 32 33
M SBL 3 1 35
M SMT 3 CH2OH
M SVB 3 35 -0.7865 -0.3437
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 30 31
M SBL 2 1 33
M SMT 2 OCH3
M SVB 2 33 0.5401 -1.6535
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 28 29
M SBL 1 1 31
M SMT 1 OCH3
M SVB 1 31 -1.068 2.066
S SKP 8
ID FLNACBGS0001
KNApSAcK_ID C00010246
NAME 5-Hydroxy-7,4'-dimethoxy-4-phenylcoumarin 5-O-galactoside
CAS_RN 117783-73-0
FORMULA C23H24O10
EXACTMASS 460.136946988
AVERAGEMASS 460.43066
SMILES O(C)c(c1)ccc(C(c32)=CC(=O)Oc2cc(cc(O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)3)OC)c1
M END
