Mol:FL5FFCGA0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2472 -4.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2472 -4.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6268 -4.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6268 -4.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1726 -4.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1726 -4.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3389 -3.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3389 -3.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9593 -3.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9593 -3.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4135 -3.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4135 -3.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1154 -3.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1154 -3.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0509 -2.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0509 -2.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6713 -2.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6713 -2.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1256 -2.6902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1256 -2.6902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5990 -3.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5990 -3.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8376 -1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8376 -1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3747 -1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3747 -1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5441 -0.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5441 -0.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1764 -0.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1764 -0.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6393 -0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6393 -0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4699 -1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4699 -1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7013 -4.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7013 -4.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6484 -1.9186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6484 -1.9186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3802 -0.6584 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.3802 -0.6584 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.9925 -1.3298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.9925 -1.3298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.7380 -1.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7380 -1.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4879 -1.3298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.4879 -1.3298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.8757 -0.6584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.8757 -0.6584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.1302 -0.8714 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.1302 -0.8714 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.6531 -0.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6531 -0.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3990 -0.4058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3990 -0.4058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6215 0.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6215 0.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3458 0.2813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3458 0.2813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4476 -4.2634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4476 -4.2634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2715 -0.6445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2715 -0.6445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0947 -2.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0947 -2.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2978 -1.7869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2978 -1.7869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8951 -3.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8951 -3.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6511 -2.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6511 -2.6933 0.0000 C 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 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 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 19 8 1 0 0 0 0 | + | 19 8 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 3 30 1 0 0 0 0 | + | 3 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | 23 32 1 0 0 0 0 | + | 23 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 6 34 1 0 0 0 0 | + | 6 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 35 | + | M SBL 2 1 35 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 35 3.0947 -2.0004 | + | M SVB 2 35 3.0947 -2.0004 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 34 35 | + | M SAL 1 2 34 35 |
| − | M SBL 1 1 37 | + | M SBL 1 1 37 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 37 -1.7042 0.9371 | + | M SVB 1 37 -1.7042 0.9371 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFCGA0004 | + | ID FL5FFCGA0004 |
| − | KNApSAcK_ID C00005704 | + | KNApSAcK_ID C00005704 |
| − | NAME Corniculatusin 3-galactoside | + | NAME Corniculatusin 3-galactoside |
| − | CAS_RN 27560-04-9 | + | CAS_RN 27560-04-9 |
| − | FORMULA C22H22O13 | + | FORMULA C22H22O13 |
| − | EXACTMASS 494.10604078999995 | + | EXACTMASS 494.10604078999995 |
| − | AVERAGEMASS 494.40228 | + | AVERAGEMASS 494.40228 |
| − | SMILES O(C(C(=O)3)=C(c(c4)cc(c(O)c4)O)Oc(c23)c(OC)c(cc(O)2)O)[C@H](O1)C(O)C([C@H]([C@@H](CO)1)O)O | + | SMILES O(C(C(=O)3)=C(c(c4)cc(c(O)c4)O)Oc(c23)c(OC)c(cc(O)2)O)[C@H](O1)C(O)C([C@H]([C@@H](CO)1)O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-1.2472 -4.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6268 -4.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1726 -4.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3389 -3.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9593 -3.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4135 -3.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1154 -3.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0509 -2.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6713 -2.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1256 -2.6902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5990 -3.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8376 -1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3747 -1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5441 -0.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1764 -0.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6393 -0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4699 -1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7013 -4.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6484 -1.9186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3802 -0.6584 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.9925 -1.3298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7380 -1.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4879 -1.3298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8757 -0.6584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.1302 -0.8714 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.6531 -0.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3990 -0.4058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6215 0.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3458 0.2813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4476 -4.2634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2715 -0.6445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0947 -2.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2978 -1.7869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8951 -3.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6511 -2.6933 0.0000 C 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 2 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
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
1 18 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
23 22 1 1 0 0 0
15 29 1 0 0 0 0
3 30 1 0 0 0 0
16 31 1 0 0 0 0
23 32 1 0 0 0 0
32 33 1 0 0 0 0
6 34 1 0 0 0 0
34 35 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 35
M SMT 2 CH2OH
M SVB 2 35 3.0947 -2.0004
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 34 35
M SBL 1 1 37
M SMT 1 OCH3
M SVB 1 37 -1.7042 0.9371
S SKP 8
ID FL5FFCGA0004
KNApSAcK_ID C00005704
NAME Corniculatusin 3-galactoside
CAS_RN 27560-04-9
FORMULA C22H22O13
EXACTMASS 494.10604078999995
AVERAGEMASS 494.40228
SMILES O(C(C(=O)3)=C(c(c4)cc(c(O)c4)O)Oc(c23)c(OC)c(cc(O)2)O)[C@H](O1)C(O)C([C@H]([C@@H](CO)1)O)O
M END
