Mol:FL5FAJGS0001
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 |
| − | -2.3972 0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3972 0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3972 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3972 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8409 -0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8409 -0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2846 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2846 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2846 0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2846 0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8409 1.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8409 1.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7283 -0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7283 -0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1720 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1720 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1720 0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1720 0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7283 1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7283 1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7283 -0.6793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7283 -0.6793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3841 1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3841 1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9511 0.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9511 0.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5180 1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5180 1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5180 1.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5180 1.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9511 2.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9511 2.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3841 1.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3841 1.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8409 -0.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8409 -0.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3841 -0.1783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3841 -0.1783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0081 0.9836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0081 0.9836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0849 0.7789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0849 0.7789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6296 -1.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6296 -1.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2579 -2.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2579 -2.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0585 -1.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0585 -1.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2579 -0.7778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2579 -0.7778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6296 -0.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6296 -0.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8289 -1.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8289 -1.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5993 -1.1126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5993 -1.1126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7910 -2.4165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7910 -2.4165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1063 -2.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1063 -2.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6787 -1.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6787 -1.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9511 2.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9511 2.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2937 2.1407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2937 2.1407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0081 1.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0081 1.7282 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 26 19 1 0 0 0 0 | + | 26 19 1 0 0 0 0 |
| − | 16 32 1 0 0 0 0 | + | 16 32 1 0 0 0 0 |
| − | 15 33 1 0 0 0 0 | + | 15 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 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 33 34 | + | M SAL 1 2 33 34 |
| − | M SBL 1 1 36 | + | M SBL 1 1 36 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 36 -5.7012 5.4137 | + | M SBV 1 36 -5.7012 5.4137 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAJGS0001 | + | ID FL5FAJGS0001 |
| − | KNApSAcK_ID C00005769 | + | KNApSAcK_ID C00005769 |
| − | NAME Mearnsitrin | + | NAME Mearnsitrin |
| − | CAS_RN 30484-88-9 | + | CAS_RN 30484-88-9 |
| − | FORMULA C22H22O12 | + | FORMULA C22H22O12 |
| − | EXACTMASS 478.111126168 | + | EXACTMASS 478.111126168 |
| − | AVERAGEMASS 478.40288000000004 | + | AVERAGEMASS 478.40288000000004 |
| − | SMILES OC(C1OC(C3=O)=C(c(c4)cc(c(OC)c(O)4)O)Oc(c32)cc(cc2O)O)C(C(O)C(C)O1)O | + | SMILES OC(C1OC(C3=O)=C(c(c4)cc(c(OC)c(O)4)O)Oc(c32)cc(cc2O)O)C(C(O)C(C)O1)O |
M END | M END | ||
| − | |||
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
-2.3972 0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3972 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8409 -0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2846 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2846 0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8409 1.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7283 -0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1720 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1720 0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7283 1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7283 -0.6793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3841 1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9511 0.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5180 1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5180 1.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9511 2.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3841 1.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8409 -0.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3841 -0.1783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0081 0.9836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0849 0.7789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6296 -1.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2579 -2.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0585 -1.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2579 -0.7778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6296 -0.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8289 -1.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5993 -1.1126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7910 -2.4165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1063 -2.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6787 -1.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9511 2.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2937 2.1407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0081 1.7282 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
3 18 1 0 0 0 0
8 19 1 0 0 0 0
1 20 1 0 0 0 0
14 21 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
26 19 1 0 0 0 0
16 32 1 0 0 0 0
15 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 36
M SMT 1 OCH3
M SBV 1 36 -5.7012 5.4137
S SKP 8
ID FL5FAJGS0001
KNApSAcK_ID C00005769
NAME Mearnsitrin
CAS_RN 30484-88-9
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES OC(C1OC(C3=O)=C(c(c4)cc(c(OC)c(O)4)O)Oc(c32)cc(cc2O)O)C(C(O)C(C)O1)O
M END
