Mol:FLIC1LNI0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7270 0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7270 0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7270 0.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7270 0.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1707 -0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1707 -0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6144 0.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6144 0.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6144 0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6144 0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1707 1.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1707 1.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0581 -0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0581 -0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4982 0.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4982 0.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4982 0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4982 0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0581 1.1392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0581 1.1392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0543 -0.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0543 -0.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0543 -0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0543 -0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6491 -1.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6491 -1.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2438 -0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2438 -0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2438 -0.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2438 -0.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6491 0.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6491 0.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3463 1.1756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3463 1.1756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8380 -1.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8380 -1.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2831 -0.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2831 -0.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8380 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8380 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8380 0.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8380 0.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8260 -0.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8260 -0.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6616 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6616 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9462 0.7821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9462 0.7821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6606 0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6606 0.3696 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 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 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 |
| − | 17 1 1 0 0 0 0 | + | 17 1 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 16 24 1 0 0 0 0 | + | 16 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 26 -4.2308 3.0108 | + | M SBV 1 26 -4.2308 3.0108 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIC1LNI0004 | + | ID FLIC1LNI0004 |
| − | KNApSAcK_ID C00010033 | + | KNApSAcK_ID C00010033 |
| − | NAME Millinol B;(3R)-7,4'-Dihydroxy-2'-methoxy-6-(1,1-dimethylallyl)isoflavan | + | NAME Millinol B;(3R)-7,4'-Dihydroxy-2'-methoxy-6-(1,1-dimethylallyl)isoflavan |
| − | CAS_RN 121747-85-1 | + | CAS_RN 121747-85-1 |
| − | FORMULA C21H24O4 | + | FORMULA C21H24O4 |
| − | EXACTMASS 340.167459256 | + | EXACTMASS 340.167459256 |
| − | AVERAGEMASS 340.41285999999997 | + | AVERAGEMASS 340.41285999999997 |
| − | SMILES C=CC(c(c1)c(O)cc(O2)c(CC(c(c3)c(cc(O)c3)OC)C2)1)(C)C | + | SMILES C=CC(c(c1)c(O)cc(O2)c(CC(c(c3)c(cc(O)c3)OC)C2)1)(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/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.7270 0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7270 0.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1707 -0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6144 0.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6144 0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1707 1.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0581 -0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4982 0.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4982 0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0581 1.1392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0543 -0.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0543 -0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6491 -1.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2438 -0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2438 -0.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6491 0.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3463 1.1756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8380 -1.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2831 -0.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8380 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8380 0.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8260 -0.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6616 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9462 0.7821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6606 0.3696 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 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 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
17 1 1 0 0 0 0
14 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
19 22 1 0 0 0 0
19 23 1 0 0 0 0
16 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 26
M SMT 1 OCH3
M SBV 1 26 -4.2308 3.0108
S SKP 8
ID FLIC1LNI0004
KNApSAcK_ID C00010033
NAME Millinol B;(3R)-7,4'-Dihydroxy-2'-methoxy-6-(1,1-dimethylallyl)isoflavan
CAS_RN 121747-85-1
FORMULA C21H24O4
EXACTMASS 340.167459256
AVERAGEMASS 340.41285999999997
SMILES C=CC(c(c1)c(O)cc(O2)c(CC(c(c3)c(cc(O)c3)OC)C2)1)(C)C
M END
