Mol:FL64ABGM0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 37 0 0 0 0 0 0 0 0999 V2000 | + | 33 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3202 0.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3202 0.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3202 -0.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3202 -0.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 -0.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 -0.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2076 -0.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2076 -0.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2076 0.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2076 0.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 0.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 0.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 -0.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 -0.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0950 -0.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0950 -0.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0950 0.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0950 0.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 0.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 0.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 0.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 0.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0281 0.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0281 0.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5950 0.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5950 0.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5950 1.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5950 1.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0281 1.8633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0281 1.8633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 1.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 1.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 -1.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 -1.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8763 0.8813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8763 0.8813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 -1.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 -1.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0684 -0.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0684 -0.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3692 -1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3692 -1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2093 -1.3122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2093 -1.3122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7913 -1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7913 -1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0922 -0.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0922 -0.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5136 -1.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5136 -1.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7518 -0.7092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7518 -0.7092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5262 -1.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5262 -1.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 1.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 1.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8763 -0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8763 -0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1618 1.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1618 1.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8763 1.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8763 1.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1442 -1.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1442 -1.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8587 -1.8633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8587 -1.8633 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 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 1 0 0 0 | + | 9 11 1 1 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 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 7 19 1 6 0 0 0 | + | 7 19 1 6 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 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 21 17 1 0 0 0 0 | + | 21 17 1 0 0 0 0 |
| − | 6 28 1 0 0 0 0 | + | 6 28 1 0 0 0 0 |
| − | 2 29 1 0 0 0 0 | + | 2 29 1 0 0 0 0 |
| − | 14 30 1 0 0 0 0 | + | 14 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 23 32 1 0 0 0 0 | + | 23 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 34 -5.4824 4.9094 | + | M SBV 1 34 -5.4824 4.9094 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 36 | + | M SBL 2 1 36 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SBV 2 36 -5.6963 4.6088 | + | M SBV 2 36 -5.6963 4.6088 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL64ABGM0001 | + | ID FL64ABGM0001 |
| − | KNApSAcK_ID C00008978 | + | KNApSAcK_ID C00008978 |
| − | NAME Eruberin A | + | NAME Eruberin A |
| − | CAS_RN 90146-68-2 | + | CAS_RN 90146-68-2 |
| − | FORMULA C24H28O9 | + | FORMULA C24H28O9 |
| − | EXACTMASS 460.17333249399996 | + | EXACTMASS 460.17333249399996 |
| − | AVERAGEMASS 460.47372 | + | AVERAGEMASS 460.47372 |
| − | SMILES C(C(O)5)(CO)OC(C(C5O)3)Oc(c4C)c(c1c(c4O)C)C(O3)CC(c(c2)ccc(OC)c2)O1 | + | SMILES C(C(O)5)(CO)OC(C(C5O)3)Oc(c4C)c(c1c(c4O)C)C(O3)CC(c(c2)ccc(OC)c2)O1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 37 0 0 0 0 0 0 0 0999 V2000
-2.3202 0.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3202 -0.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -0.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 0.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 0.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -0.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 0.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 0.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 0.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 1.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 1.8633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 1.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -1.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8763 0.8813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0684 -0.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3692 -1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2093 -1.3122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7913 -1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0922 -0.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5136 -1.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7518 -0.7092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5262 -1.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 1.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8763 -0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1618 1.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8763 1.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1442 -1.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8587 -1.8633 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 1 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
3 17 1 0 0 0 0
1 18 1 0 0 0 0
7 19 1 6 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
25 26 1 0 0 0 0
24 27 1 0 0 0 0
19 20 1 0 0 0 0
21 17 1 0 0 0 0
6 28 1 0 0 0 0
2 29 1 0 0 0 0
14 30 1 0 0 0 0
30 31 1 0 0 0 0
23 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 34
M SMT 1 OCH3
M SBV 1 34 -5.4824 4.9094
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 36
M SMT 2 CH2OH
M SBV 2 36 -5.6963 4.6088
S SKP 8
ID FL64ABGM0001
KNApSAcK_ID C00008978
NAME Eruberin A
CAS_RN 90146-68-2
FORMULA C24H28O9
EXACTMASS 460.17333249399996
AVERAGEMASS 460.47372
SMILES C(C(O)5)(CO)OC(C(C5O)3)Oc(c4C)c(c1c(c4O)C)C(O3)CC(c(c2)ccc(OC)c2)O1
M END
