Mol:FL5FFCNS0023
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 30 0 0 0 0 0 0 0 0999 V2000 | + | 28 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3202 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3202 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3202 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3202 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2076 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2076 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2076 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2076 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0950 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0950 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0950 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0950 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0281 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0281 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5950 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5950 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5950 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5950 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0281 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0281 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8763 0.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8763 0.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4859 0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4859 0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0494 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0494 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7710 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7710 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6370 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6370 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3115 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3115 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7529 2.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7529 2.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2003 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2003 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4859 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4859 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5950 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5950 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5950 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5950 0.8044 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 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 16 23 1 0 0 0 0 | + | 16 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 15 27 1 0 0 0 0 | + | 15 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | M STY 1 5 SUP | + | M STY 1 5 SUP |
| − | M SLB 1 5 5 | + | M SLB 1 5 5 |
| − | M SAL 5 2 27 28 | + | M SAL 5 2 27 28 |
| − | M SBL 5 1 29 | + | M SBL 5 1 29 |
| − | M SMT 5 OCH3 | + | M SMT 5 OCH3 |
| − | M SVB 5 29 2.1618 1.1317 | + | M SVB 5 29 2.1618 1.1317 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 25 26 | + | M SAL 4 2 25 26 |
| − | M SBL 4 1 27 | + | M SBL 4 1 27 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 27 -2.2003 -1.2954 | + | M SVB 4 27 -2.2003 -1.2954 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 23 24 | + | M SAL 3 2 23 24 |
| − | M SBL 3 1 25 | + | M SBL 3 1 25 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 25 1.3115 1.7079 | + | M SVB 3 25 1.3115 1.7079 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 23 | + | M SBL 2 1 23 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 23 0.1038 -1.0199 | + | M SVB 2 23 0.1038 -1.0199 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 -1.4859 0.7229 | + | M SVB 1 21 -1.4859 0.7229 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFCNS0023 | + | ID FL5FFCNS0023 |
| − | KNApSAcK_ID C00004743 | + | KNApSAcK_ID C00004743 |
| − | NAME Gossypetin 3,5,8,3',4'-pentamethyl ether | + | NAME Gossypetin 3,5,8,3',4'-pentamethyl ether |
| − | CAS_RN 33554-63-1 | + | CAS_RN 33554-63-1 |
| − | FORMULA C20H20O8 | + | FORMULA C20H20O8 |
| − | EXACTMASS 388.11581761599996 | + | EXACTMASS 388.11581761599996 |
| − | AVERAGEMASS 388.368 | + | AVERAGEMASS 388.368 |
| − | SMILES COc(c12)cc(c(c(OC(c(c3)cc(c(c3)OC)OC)=C(C2=O)OC)1)OC)O | + | SMILES COc(c12)cc(c(c(OC(c(c3)cc(c(c3)OC)OC)=C(C2=O)OC)1)OC)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-2.3202 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3202 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8763 0.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4859 0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0494 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7710 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6370 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3115 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7529 2.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2003 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4859 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5950 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5950 0.8044 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
6 19 1 0 0 0 0
19 20 1 0 0 0 0
8 21 1 0 0 0 0
21 22 1 0 0 0 0
16 23 1 0 0 0 0
23 24 1 0 0 0 0
3 25 1 0 0 0 0
25 26 1 0 0 0 0
15 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 27 28
M SBL 5 1 29
M SMT 5 OCH3
M SVB 5 29 2.1618 1.1317
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 25 26
M SBL 4 1 27
M SMT 4 OCH3
M SVB 4 27 -2.2003 -1.2954
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 25
M SMT 3 OCH3
M SVB 3 25 1.3115 1.7079
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 0.1038 -1.0199
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -1.4859 0.7229
S SKP 8
ID FL5FFCNS0023
KNApSAcK_ID C00004743
NAME Gossypetin 3,5,8,3',4'-pentamethyl ether
CAS_RN 33554-63-1
FORMULA C20H20O8
EXACTMASS 388.11581761599996
AVERAGEMASS 388.368
SMILES COc(c12)cc(c(c(OC(c(c3)cc(c(c3)OC)OC)=C(C2=O)OC)1)OC)O
M END
