Mol:FL6D1CNS0007
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 |
| − | -2.1684 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1684 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1684 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1684 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6121 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6121 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0558 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0558 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0558 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0558 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6121 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6121 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4995 -1.1349 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.4995 -1.1349 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.0568 -0.8137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.0568 -0.8137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.0568 -0.1713 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.0568 -0.1713 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.4995 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4995 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6129 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6129 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1799 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1799 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7469 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7469 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7469 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7469 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1799 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1799 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6129 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6129 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7469 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7469 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7469 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7469 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9228 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9228 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7888 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7888 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3818 0.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3818 0.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1942 -0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1942 -0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9359 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9359 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2214 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2214 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4633 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4633 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9047 2.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9047 2.6052 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 7 23 1 1 0 0 0 | + | 7 23 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 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 5 SUP | + | M STY 1 5 SUP |
| − | M SLB 1 5 5 | + | M SLB 1 5 5 |
| − | M SAL 5 2 25 26 | + | M SAL 5 2 25 26 |
| − | M SBL 5 1 27 | + | M SBL 5 1 27 |
| − | M SMT 5 OCH3 | + | M SMT 5 OCH3 |
| − | M SVB 5 27 1.4633 1.7079 | + | M SVB 5 27 1.4633 1.7079 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 23 24 | + | M SAL 4 2 23 24 |
| − | M SBL 4 1 25 | + | M SBL 4 1 25 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 25 -0.9359 -1.2954 | + | M SVB 4 25 -0.9359 -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 21 22 | + | M SAL 3 2 21 22 |
| − | M SBL 3 1 23 | + | M SBL 3 1 23 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 23 -2.2313 0.1988 | + | M SVB 3 23 -2.2313 0.1988 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 19 20 | + | M SAL 2 2 19 20 |
| − | M SBL 2 1 21 | + | M SBL 2 1 21 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 21 0.2557 -1.0199 | + | M SVB 2 21 0.2557 -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 17 18 | + | M SAL 1 2 17 18 |
| − | M SBL 1 1 19 | + | M SBL 1 1 19 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 19 2.3137 1.1317 | + | M SVB 1 19 2.3137 1.1317 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6D1CNS0007 | + | ID FL6D1CNS0007 |
| − | KNApSAcK_ID C00009001 | + | KNApSAcK_ID C00009001 |
| − | NAME Fisetinidol-4beta-ol 3,4,7,3',4'-pentamethyl ether | + | NAME Fisetinidol-4beta-ol 3,4,7,3',4'-pentamethyl ether |
| − | CAS_RN 77292-34-3 | + | CAS_RN 77292-34-3 |
| − | FORMULA C20H24O6 | + | FORMULA C20H24O6 |
| − | EXACTMASS 360.1572885 | + | EXACTMASS 360.1572885 |
| − | AVERAGEMASS 360.40096 | + | AVERAGEMASS 360.40096 |
| − | SMILES c(c1)c(OC)c(cc1[C@H]([C@H]2OC)Oc(c3)c(ccc3OC)[C@@H]2OC)OC | + | SMILES c(c1)c(OC)c(cc1[C@H]([C@H]2OC)Oc(c3)c(ccc3OC)[C@@H]2OC)OC |
M END | M END | ||
| − | |||
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
-2.1684 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1684 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6121 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0558 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0558 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6121 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4995 -1.1349 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.0568 -0.8137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.0568 -0.1713 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4995 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6129 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1799 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7469 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7469 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1799 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6129 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7469 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7469 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9228 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7888 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3818 0.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1942 -0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9359 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2214 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4633 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9047 2.6052 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 6 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
14 17 1 0 0 0 0
17 18 1 0 0 0 0
8 19 1 1 0 0 0
19 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
7 23 1 1 0 0 0
23 24 1 0 0 0 0
15 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 25 26
M SBL 5 1 27
M SMT 5 OCH3
M SVB 5 27 1.4633 1.7079
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 23 24
M SBL 4 1 25
M SMT 4 OCH3
M SVB 4 25 -0.9359 -1.2954
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 21 22
M SBL 3 1 23
M SMT 3 OCH3
M SVB 3 23 -2.2313 0.1988
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 19 20
M SBL 2 1 21
M SMT 2 OCH3
M SVB 2 21 0.2557 -1.0199
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 17 18
M SBL 1 1 19
M SMT 1 OCH3
M SVB 1 19 2.3137 1.1317
S SKP 8
ID FL6D1CNS0007
KNApSAcK_ID C00009001
NAME Fisetinidol-4beta-ol 3,4,7,3',4'-pentamethyl ether
CAS_RN 77292-34-3
FORMULA C20H24O6
EXACTMASS 360.1572885
AVERAGEMASS 360.40096
SMILES c(c1)c(OC)c(cc1[C@H]([C@H]2OC)Oc(c3)c(ccc3OC)[C@@H]2OC)OC
M END
