Mol:FL5FAJNM0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3202 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3202 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3202 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3202 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2076 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2076 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2076 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2076 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0950 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0950 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0950 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0950 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0281 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0281 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5950 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5950 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5950 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5950 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0281 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0281 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8763 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8763 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0281 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0281 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8763 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8763 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1618 -0.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1618 -0.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 0.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 0.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1618 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1618 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8763 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8763 0.7145 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 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 14 23 1 0 0 0 0 | + | 14 23 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 15 25 1 0 0 0 0 | + | 15 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 27 -6.3693 3.6782 | + | M SBV 1 27 -6.3693 3.6782 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAJNM0002 | + | ID FL5FAJNM0002 |
| − | KNApSAcK_ID C00004912 | + | KNApSAcK_ID C00004912 |
| − | NAME 6,8-Di-C-methylmyricetin 4'-methyl ether | + | NAME 6,8-Di-C-methylmyricetin 4'-methyl ether |
| − | CAS_RN 72686-98-7 | + | CAS_RN 72686-98-7 |
| − | FORMULA C18H16O8 | + | FORMULA C18H16O8 |
| − | EXACTMASS 360.08451748799996 | + | EXACTMASS 360.08451748799996 |
| − | AVERAGEMASS 360.31484 | + | AVERAGEMASS 360.31484 |
| − | SMILES c(OC)(c(O)1)c(O)cc(C(O2)=C(C(c(c3O)c2c(c(c3C)O)C)=O)O)c1 | + | SMILES c(OC)(c(O)1)c(O)cc(C(O2)=C(C(c(c3O)c2c(c(c3C)O)C)=O)O)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/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.3202 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3202 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8763 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8763 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1618 -0.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 0.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1618 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8763 0.7145 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
8 18 1 0 0 0 0
3 19 1 0 0 0 0
1 20 1 0 0 0 0
16 21 1 0 0 0 0
2 22 1 0 0 0 0
14 23 1 0 0 0 0
6 24 1 0 0 0 0
15 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SBV 1 27 -6.3693 3.6782
S SKP 8
ID FL5FAJNM0002
KNApSAcK_ID C00004912
NAME 6,8-Di-C-methylmyricetin 4'-methyl ether
CAS_RN 72686-98-7
FORMULA C18H16O8
EXACTMASS 360.08451748799996
AVERAGEMASS 360.31484
SMILES c(OC)(c(O)1)c(O)cc(C(O2)=C(C(c(c3O)c2c(c(c3C)O)C)=O)O)c1
M END
