Mol:FLID1ANI0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0044 1.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0044 1.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0044 0.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0044 0.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4481 0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4481 0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8918 0.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8918 0.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8918 1.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8918 1.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4481 1.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4481 1.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3355 0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3355 0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2208 0.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2208 0.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2208 1.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2208 1.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3355 1.5704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3355 1.5704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7769 0.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 0.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7769 -0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 -0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3717 -0.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3717 -0.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9665 -0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9665 -0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9665 0.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9665 0.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3717 0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3717 0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3296 -0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3296 -0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5607 1.5704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5607 1.5704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5607 -0.7440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5607 -0.7440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9932 1.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9932 1.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5874 2.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5874 2.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1816 1.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1816 1.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5874 2.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5874 2.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9862 1.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9862 1.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3717 -1.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3717 -1.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9647 -1.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9647 -1.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9647 -2.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9647 -2.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3729 -2.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3729 -2.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5565 -2.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5565 -2.7979 0.0000 C 0 0 0 0 0 0 0 0 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 8 24 1 0 0 0 0 | + | 8 24 1 0 0 0 0 |
| − | 24 20 1 0 0 0 0 | + | 24 20 1 0 0 0 0 |
| − | 13 25 1 0 0 0 0 | + | 13 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID1ANI0006 | + | ID FLID1ANI0006 |
| − | KNApSAcK_ID C00009666 | + | KNApSAcK_ID C00009666 |
| − | NAME Lespein;3,9-Dihydroxy-6a,10-diprenylpterocarpan | + | NAME Lespein;3,9-Dihydroxy-6a,10-diprenylpterocarpan |
| − | CAS_RN 51447-95-1 | + | CAS_RN 51447-95-1 |
| − | FORMULA C25H28O4 | + | FORMULA C25H28O4 |
| − | EXACTMASS 392.19875938399997 | + | EXACTMASS 392.19875938399997 |
| − | AVERAGEMASS 392.48742 | + | AVERAGEMASS 392.48742 |
| − | SMILES C(C(c43)(C2)C(Oc3c(c(cc4)O)CC=C(C)C)c(c1O2)ccc(c1)O)C=C(C)C | + | SMILES C(C(c43)(C2)C(Oc3c(c(cc4)O)CC=C(C)C)c(c1O2)ccc(c1)O)C=C(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
-2.0044 1.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0044 0.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 0.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 1.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 1.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 0.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 1.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 1.5704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 0.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 -0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 -0.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 -0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 0.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3296 -0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5607 1.5704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5607 -0.7440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9932 1.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5874 2.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1816 1.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5874 2.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9862 1.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 -1.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9647 -1.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9647 -2.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3729 -2.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5565 -2.7979 0.0000 C 0 0 0 0 0 0 0 0 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
8 11 1 0 0 0 0
11 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 11 2 0 0 0 0
7 17 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
1 18 1 0 0 0 0
14 19 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
8 24 1 0 0 0 0
24 20 1 0 0 0 0
13 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
S SKP 8
ID FLID1ANI0006
KNApSAcK_ID C00009666
NAME Lespein;3,9-Dihydroxy-6a,10-diprenylpterocarpan
CAS_RN 51447-95-1
FORMULA C25H28O4
EXACTMASS 392.19875938399997
AVERAGEMASS 392.48742
SMILES C(C(c43)(C2)C(Oc3c(c(cc4)O)CC=C(C)C)c(c1O2)ccc(c1)O)C=C(C)C
M END
