Mol:FL631CNC0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 35 0 0 0 0 0 0 0 0999 V2000 | + | 31 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.7038 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7038 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4144 -0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4144 -0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1250 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1250 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1250 -2.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1250 -2.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4144 -2.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4144 -2.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7038 -2.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7038 -2.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8356 -0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8356 -0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5462 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5462 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5462 -2.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5462 -2.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8356 -2.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8356 -2.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1354 -2.5406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1354 -2.5406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0068 -0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0068 -0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0068 -0.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0068 -0.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7038 0.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7038 0.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4144 -0.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4144 -0.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7173 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7173 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4279 -0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4279 -0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4279 -0.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4279 -0.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7173 0.2611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7173 0.2611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1869 0.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1869 0.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8619 -0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8619 -0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5369 0.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5369 0.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5369 1.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5369 1.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8619 1.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8619 1.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1869 1.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1869 1.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1354 1.4140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1354 1.4140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.0243 0.2029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0243 0.2029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0243 1.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0243 1.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8619 2.1983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8619 2.1983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5763 2.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5763 2.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 2 0 0 0 0 | + | 3 7 2 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 4 2 0 0 0 0 | + | 10 4 2 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 1 12 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 15 2 1 0 0 0 0 |
| − | 12 16 1 0 0 0 0 | + | 12 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 13 1 0 0 0 0 | + | 19 13 1 0 0 0 0 |
| − | 18 20 1 6 0 0 0 | + | 18 20 1 6 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 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 17 27 1 1 0 0 0 | + | 17 27 1 1 0 0 0 |
| − | 15 28 1 0 0 0 0 | + | 15 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL631CNC0003 | + | ID FL631CNC0003 |
| − | KNApSAcK_ID C00013265 | + | KNApSAcK_ID C00013265 |
| − | NAME Shanciol;trans-(-)-3,4,5,6-Tetrahydro-2-(4-hydroxy-3-methoxyphenyl)-11-methoxy-2H-phenanthro[2,1-b]pyran-3,8-diol | + | NAME Shanciol;trans-(-)-3,4,5,6-Tetrahydro-2-(4-hydroxy-3-methoxyphenyl)-11-methoxy-2H-phenanthro[2,1-b]pyran-3,8-diol |
| − | CAS_RN 173294-75-2 | + | CAS_RN 173294-75-2 |
| − | FORMULA C25H24O6 | + | FORMULA C25H24O6 |
| − | EXACTMASS 420.1572885 | + | EXACTMASS 420.1572885 |
| − | AVERAGEMASS 420.45446 | + | AVERAGEMASS 420.45446 |
| − | SMILES C(C(O)4)(c(c5)cc(OC)c(O)c5)Oc(c3C4)cc(c(c32)c(c(CC2)1)ccc(c1)O)OC | + | SMILES C(C(O)4)(c(c5)cc(OC)c(O)c5)Oc(c3C4)cc(c(c32)c(c(CC2)1)ccc(c1)O)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 35 0 0 0 0 0 0 0 0999 V2000
-0.7038 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4144 -0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1250 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1250 -2.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4144 -2.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7038 -2.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8356 -0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5462 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5462 -2.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8356 -2.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1354 -2.5406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0068 -0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0068 -0.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7038 0.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4144 -0.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7173 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4279 -0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4279 -0.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7173 0.2611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1869 0.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8619 -0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5369 0.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5369 1.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8619 1.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1869 1.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1354 1.4140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0574 -1.3331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0243 0.2029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0243 1.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8619 2.1983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5763 2.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 1 0 0 0 0
3 7 2 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 4 2 0 0 0 0
9 11 1 0 0 0 0
1 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 2 1 0 0 0 0
12 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 13 1 0 0 0 0
18 20 1 6 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 20 1 0 0 0 0
24 30 1 0 0 0 0
23 26 1 0 0 0 0
17 27 1 1 0 0 0
15 28 1 0 0 0 0
28 29 1 0 0 0 0
30 31 1 0 0 0 0
S SKP 8
ID FL631CNC0003
KNApSAcK_ID C00013265
NAME Shanciol;trans-(-)-3,4,5,6-Tetrahydro-2-(4-hydroxy-3-methoxyphenyl)-11-methoxy-2H-phenanthro[2,1-b]pyran-3,8-diol
CAS_RN 173294-75-2
FORMULA C25H24O6
EXACTMASS 420.1572885
AVERAGEMASS 420.45446
SMILES C(C(O)4)(c(c5)cc(OC)c(O)c5)Oc(c3C4)cc(c(c32)c(c(CC2)1)ccc(c1)O)OC
M END
