Mol:FLIFWYNM0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 27 0 0 0 0 0 0 0 0999 V2000 | + | 24 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7073 0.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7073 0.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7073 -0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7073 -0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1510 -0.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1510 -0.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5947 -0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5947 -0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5947 0.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5947 0.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1510 0.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1510 0.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0384 -0.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0384 -0.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5179 -0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5179 -0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5179 0.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5179 0.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0384 0.8538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0384 0.8538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0740 -0.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0740 -0.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0740 -1.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0740 -1.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6688 -1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6688 -1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2636 -1.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2636 -1.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2636 -0.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2636 -0.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6688 -0.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6688 -0.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0740 0.8537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0740 0.8537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0384 -1.0730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0384 -1.0730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6752 0.5326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6752 0.5326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2636 0.8538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2636 0.8538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1510 -1.0730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1510 -1.0730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2634 -0.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2634 -0.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4114 1.4610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4114 1.4610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1259 1.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1259 1.0485 0.0000 C 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 |
| − | 9 17 1 0 0 0 0 | + | 9 17 1 0 0 0 0 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 19 17 1 0 0 0 0 | + | 19 17 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 17 23 1 0 0 0 0 | + | 17 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 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 23 24 | + | M SAL 1 2 23 24 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 26 -5.3464 4.5843 | + | M SBV 1 26 -5.3464 4.5843 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIFWYNM0002 | + | ID FLIFWYNM0002 |
| − | KNApSAcK_ID C00009990 | + | KNApSAcK_ID C00009990 |
| − | NAME Boeravinone A;6a,12a-Dehydro-9,11-dihydroxy-6-methoxy-10-methylrotenone | + | NAME Boeravinone A;6a,12a-Dehydro-9,11-dihydroxy-6-methoxy-10-methylrotenone |
| − | CAS_RN 114567-33-8 | + | CAS_RN 114567-33-8 |
| − | FORMULA C18H14O6 | + | FORMULA C18H14O6 |
| − | EXACTMASS 326.07903818 | + | EXACTMASS 326.07903818 |
| − | AVERAGEMASS 326.30016 | + | AVERAGEMASS 326.30016 |
| − | SMILES c(c1O)(C)c(O)cc(O2)c1C(C(c34)=C2C(OC)Oc3cccc4)=O | + | SMILES c(c1O)(C)c(O)cc(O2)c1C(C(c34)=C2C(OC)Oc3cccc4)=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-1.7073 0.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7073 -0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1510 -0.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5947 -0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5947 0.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1510 0.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0384 -0.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5179 -0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5179 0.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0384 0.8538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0740 -0.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0740 -1.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6688 -1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2636 -1.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2636 -0.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6688 -0.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0740 0.8537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0384 -1.0730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6752 0.5326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2636 0.8538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1510 -1.0730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2634 -0.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4114 1.4610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1259 1.0485 0.0000 C 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
9 17 1 0 0 0 0
7 18 2 0 0 0 0
16 19 1 0 0 0 0
19 17 1 0 0 0 0
20 1 1 0 0 0 0
3 21 1 0 0 0 0
2 22 1 0 0 0 0
17 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 26
M SMT 1 OCH3
M SBV 1 26 -5.3464 4.5843
S SKP 8
ID FLIFWYNM0002
KNApSAcK_ID C00009990
NAME Boeravinone A;6a,12a-Dehydro-9,11-dihydroxy-6-methoxy-10-methylrotenone
CAS_RN 114567-33-8
FORMULA C18H14O6
EXACTMASS 326.07903818
AVERAGEMASS 326.30016
SMILES c(c1O)(C)c(O)cc(O2)c1C(C(c34)=C2C(OC)Oc3cccc4)=O
M END
