Mol:FL5FDAGS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.6855 -3.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6855 -3.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1934 -3.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1934 -3.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4102 -3.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4102 -3.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5218 -3.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5218 -3.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0297 -2.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0297 -2.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5740 -2.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5740 -2.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1254 -2.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1254 -2.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2369 -2.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2369 -2.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7448 -1.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7448 -1.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1412 -2.0831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1412 -2.0831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8914 -3.5517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8914 -3.5517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8563 -1.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8563 -1.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4715 -1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4715 -1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5852 -0.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5852 -0.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0837 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0837 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4685 -0.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4685 -0.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3549 -0.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3549 -0.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9021 -4.1740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9021 -4.1740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1445 0.7472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1445 0.7472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8672 1.5547 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.8672 1.5547 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.5718 1.0430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.5718 1.0430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.1398 1.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1398 1.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7113 1.0430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.7113 1.0430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.0067 1.5547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.0067 1.5547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.4387 1.3924 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.4387 1.3924 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.4987 1.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4987 1.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4794 1.8584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4794 1.8584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4330 1.3086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4330 1.3086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1302 -2.5058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1302 -2.5058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0988 -2.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0988 -2.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3891 -3.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3891 -3.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3739 -3.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3739 -3.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9059 0.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9059 0.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9059 -0.0657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9059 -0.0657 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 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 |
| − | 3 18 1 0 0 0 0 | + | 3 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 |
| − | 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 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 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 8 29 1 0 0 0 0 | + | 8 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 1 31 1 0 0 0 0 | + | 1 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 23 33 1 0 0 0 0 | + | 23 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 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 33 34 | + | M SAL 3 2 33 34 |
| − | M SBL 3 1 36 | + | M SBL 3 1 36 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 36 3.0543 1.0697 | + | M SVB 3 36 3.0543 1.0697 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 31 32 | + | M SAL 2 2 31 32 |
| − | M SBL 2 1 34 | + | M SBL 2 1 34 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 34 -3.7688 0.4269 | + | M SVB 2 34 -3.7688 0.4269 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 32 -0.7879 -1.666 | + | M SVB 1 32 -0.7879 -1.666 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FDAGS0004 | + | ID FL5FDAGS0004 |
| − | KNApSAcK_ID C00005297 | + | KNApSAcK_ID C00005297 |
| − | NAME Camaroside | + | NAME Camaroside |
| − | CAS_RN 150853-97-7 | + | CAS_RN 150853-97-7 |
| − | FORMULA C23H24O11 | + | FORMULA C23H24O11 |
| − | EXACTMASS 476.13186161 | + | EXACTMASS 476.13186161 |
| − | AVERAGEMASS 476.43006 | + | AVERAGEMASS 476.43006 |
| − | SMILES COC(=C(c(c4)ccc(c4)O[C@@H](C(O)3)O[C@H](CO)[C@H](O)C3O)1)C(c(c2O)c(cc(c2)OC)O1)=O | + | SMILES COC(=C(c(c4)ccc(c4)O[C@@H](C(O)3)O[C@H](CO)[C@H](O)C3O)1)C(c(c2O)c(cc(c2)OC)O1)=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/
34 37 0 0 0 0 0 0 0 0999 V2000
-0.6855 -3.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1934 -3.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4102 -3.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5218 -3.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0297 -2.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5740 -2.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1254 -2.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2369 -2.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7448 -1.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1412 -2.0831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8914 -3.5517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8563 -1.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4715 -1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5852 -0.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0837 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4685 -0.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3549 -0.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9021 -4.1740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1445 0.7472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8672 1.5547 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.5718 1.0430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.1398 1.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7113 1.0430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0067 1.5547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4387 1.3924 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.4987 1.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4794 1.8584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4330 1.3086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1302 -2.5058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0988 -2.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3891 -3.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3739 -3.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9059 0.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9059 -0.0657 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 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
3 18 1 0 0 0 0
20 21 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 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 15 1 0 0 0 0
8 29 1 0 0 0 0
29 30 1 0 0 0 0
1 31 1 0 0 0 0
31 32 1 0 0 0 0
23 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 33 34
M SBL 3 1 36
M SMT 3 CH2OH
M SVB 3 36 3.0543 1.0697
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 34
M SMT 2 OCH3
M SVB 2 34 -3.7688 0.4269
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 OCH3
M SVB 1 32 -0.7879 -1.666
S SKP 8
ID FL5FDAGS0004
KNApSAcK_ID C00005297
NAME Camaroside
CAS_RN 150853-97-7
FORMULA C23H24O11
EXACTMASS 476.13186161
AVERAGEMASS 476.43006
SMILES COC(=C(c(c4)ccc(c4)O[C@@H](C(O)3)O[C@H](CO)[C@H](O)C3O)1)C(c(c2O)c(cc(c2)OC)O1)=O
M END
