Mol:FLID1ANI0007
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 |
| − | -2.5901 2.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5901 2.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5901 2.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5901 2.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0338 1.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0338 1.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4775 2.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4775 2.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4775 2.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4775 2.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0338 3.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0338 3.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9212 1.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9212 1.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3649 2.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3649 2.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3649 2.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3649 2.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9212 3.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9212 3.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1912 1.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1912 1.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1912 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1912 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7860 0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7860 0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3808 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3808 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3808 1.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3808 1.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7860 2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7860 2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9154 1.2752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9154 1.2752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1464 3.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1464 3.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9750 0.9319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9750 0.9319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7860 0.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7860 0.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3790 -0.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3790 -0.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3790 -0.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3790 -0.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7872 -1.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7872 -1.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9708 -1.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9708 -1.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9616 -1.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9616 -1.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5546 -2.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5546 -2.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5546 -2.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5546 -2.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9628 -3.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9628 -3.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1464 -3.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1464 -3.2464 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 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 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 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID1ANI0007 | + | ID FLID1ANI0007 |
| − | KNApSAcK_ID C00009667 | + | KNApSAcK_ID C00009667 |
| − | NAME Lespedezin;10-Geranyl-3,9-dihydroxypterocarpan | + | NAME Lespedezin;10-Geranyl-3,9-dihydroxypterocarpan |
| − | CAS_RN 51581-03-4 | + | CAS_RN 51581-03-4 |
| − | FORMULA C25H28O4 | + | FORMULA C25H28O4 |
| − | EXACTMASS 392.19875938399997 | + | EXACTMASS 392.19875938399997 |
| − | AVERAGEMASS 392.48742 | + | AVERAGEMASS 392.48742 |
| − | SMILES Oc(c4)c(c(O1)c(c4)C(C2)C(c(c3)c(cc(O)c3)O2)1)CC=C(C)CCC=C(C)C | + | SMILES Oc(c4)c(c(O1)c(c4)C(C2)C(c(c3)c(cc(O)c3)O2)1)CC=C(C)CCC=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
-2.5901 2.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5901 2.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0338 1.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4775 2.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4775 2.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0338 3.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9212 1.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3649 2.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3649 2.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9212 3.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1912 1.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1912 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7860 0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3808 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3808 1.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7860 2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9154 1.2752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1464 3.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9750 0.9319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7860 0.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3790 -0.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3790 -0.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7872 -1.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9708 -1.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9616 -1.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5546 -2.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5546 -2.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9628 -3.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1464 -3.2464 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
13 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 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
24 25 1 0 0 0 0
S SKP 8
ID FLID1ANI0007
KNApSAcK_ID C00009667
NAME Lespedezin;10-Geranyl-3,9-dihydroxypterocarpan
CAS_RN 51581-03-4
FORMULA C25H28O4
EXACTMASS 392.19875938399997
AVERAGEMASS 392.48742
SMILES Oc(c4)c(c(O1)c(c4)C(C2)C(c(c3)c(cc(O)c3)O2)1)CC=C(C)CCC=C(C)C
M END
