Mol:FLIDHXNI0005
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 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4496 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4496 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4496 0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4496 0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8933 0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8933 0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3370 0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3370 0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3370 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3370 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8933 1.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8933 1.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2193 0.0097 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.2193 0.0097 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.7756 0.3309 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.7756 0.3309 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.7756 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7756 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2193 1.2945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2193 1.2945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3317 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3317 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3317 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3317 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9265 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9265 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5213 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5213 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5213 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5213 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9265 0.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9265 0.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2252 -0.6767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2252 -0.6767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1155 -1.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1155 -1.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3317 0.6520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3317 0.6520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0057 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0057 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0057 -0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0057 -0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5606 -0.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5606 -0.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5606 -1.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5606 -1.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1155 -0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1155 -0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8068 1.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8068 1.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3068 2.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3068 2.4580 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 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 |
| − | 1 25 1 0 0 0 0 | + | 1 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 -1.8068 1.592 | + | M SVB 1 28 -1.8068 1.592 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDHXNI0005 | + | ID FLIDHXNI0005 |
| − | KNApSAcK_ID C00009690 | + | KNApSAcK_ID C00009690 |
| − | NAME Glyceollin IV;6a,9-Dihydroxy-3-methoxy-2-prenylpterocarpan | + | NAME Glyceollin IV;6a,9-Dihydroxy-3-methoxy-2-prenylpterocarpan |
| − | CAS_RN 69393-94-8 | + | CAS_RN 69393-94-8 |
| − | FORMULA C21H22O5 | + | FORMULA C21H22O5 |
| − | EXACTMASS 354.146723814 | + | EXACTMASS 354.146723814 |
| − | AVERAGEMASS 354.39638 | + | AVERAGEMASS 354.39638 |
| − | SMILES C(C(O)42)Oc(c(C2Oc(c43)cc(O)cc3)1)cc(OC)c(c1)CC=C(C)C | + | SMILES C(C(O)42)Oc(c(C2Oc(c43)cc(O)cc3)1)cc(OC)c(c1)CC=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/
26 29 0 0 0 0 0 0 0 0999 V2000
-1.4496 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4496 0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8933 0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3370 0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3370 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8933 1.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2193 0.0097 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.7756 0.3309 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.7756 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2193 1.2945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3317 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3317 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9265 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5213 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5213 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9265 0.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2252 -0.6767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1155 -1.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3317 0.6520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0057 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0057 -0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 -0.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 -1.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1155 -0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8068 1.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3068 2.4580 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
14 18 1 0 0 0 0
8 19 1 0 0 0 0
2 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
1 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 -1.8068 1.592
S SKP 8
ID FLIDHXNI0005
KNApSAcK_ID C00009690
NAME Glyceollin IV;6a,9-Dihydroxy-3-methoxy-2-prenylpterocarpan
CAS_RN 69393-94-8
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES C(C(O)42)Oc(c(C2Oc(c43)cc(O)cc3)1)cc(OC)c(c1)CC=C(C)C
M END
