Mol:FLIG1LNI0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8431 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8431 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8431 -0.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8431 -0.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2868 -0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2868 -0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7305 -0.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7305 -0.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7305 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7305 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2868 0.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2868 0.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1742 -0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1742 -0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6179 -0.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6179 -0.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6179 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6179 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1742 0.4765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1742 0.4765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0618 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0618 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0618 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0618 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5330 -1.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5330 -1.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1278 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1278 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1278 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1278 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5330 -0.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5330 -0.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1725 -1.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1725 -1.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7843 -1.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7843 -1.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5394 0.1554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5394 0.1554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2868 -1.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2868 -1.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3992 0.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3992 0.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7220 -0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7220 -0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3162 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3162 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9104 -0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9104 -0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9104 0.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9104 0.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5046 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5046 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2868 1.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2868 1.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8961 1.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8961 1.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8961 2.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8961 2.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2876 2.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2876 2.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5046 2.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5046 2.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5330 -2.5244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5330 -2.5244 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 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 9 19 1 0 0 0 0 | + | 9 19 1 0 0 0 0 |
| − | 19 16 1 0 0 0 0 | + | 19 16 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 6 27 1 0 0 0 0 | + | 6 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 13 32 1 0 0 0 0 | + | 13 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIG1LNI0005 | + | ID FLIG1LNI0005 |
| − | KNApSAcK_ID C00010069 | + | KNApSAcK_ID C00010069 |
| − | NAME Euchretin B | + | NAME Euchretin B |
| − | CAS_RN 125002-85-9 | + | CAS_RN 125002-85-9 |
| − | FORMULA C25H24O7 | + | FORMULA C25H24O7 |
| − | EXACTMASS 436.152203122 | + | EXACTMASS 436.152203122 |
| − | AVERAGEMASS 436.45385999999996 | + | AVERAGEMASS 436.45385999999996 |
| − | SMILES c(O)(c4)c(O)c(c(c43)oc(c32)Oc(c1C(=O)2)c(c(O)cc1O)CC=C(C)C)CC=C(C)C | + | SMILES c(O)(c4)c(O)c(c(c43)oc(c32)Oc(c1C(=O)2)c(c(O)cc1O)CC=C(C)C)CC=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-2.8431 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8431 -0.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2868 -0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7305 -0.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7305 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2868 0.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1742 -0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6179 -0.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6179 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1742 0.4765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0618 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0618 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5330 -1.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1278 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1278 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5330 -0.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1725 -1.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7843 -1.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5394 0.1554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2868 -1.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3992 0.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7220 -0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3162 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9104 -0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9104 0.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5046 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2868 1.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8961 1.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8961 2.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2876 2.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5046 2.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5330 -2.5244 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 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
7 17 2 0 0 0 0
14 18 1 0 0 0 0
9 19 1 0 0 0 0
19 16 1 0 0 0 0
3 20 1 0 0 0 0
1 21 1 0 0 0 0
15 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
6 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
13 32 1 0 0 0 0
S SKP 8
ID FLIG1LNI0005
KNApSAcK_ID C00010069
NAME Euchretin B
CAS_RN 125002-85-9
FORMULA C25H24O7
EXACTMASS 436.152203122
AVERAGEMASS 436.45385999999996
SMILES c(O)(c4)c(O)c(c(c43)oc(c32)Oc(c1C(=O)2)c(c(O)cc1O)CC=C(C)C)CC=C(C)C
M END
