Mol:FL631ANM0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.4747 0.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4747 0.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7603 -0.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7603 -0.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0497 0.1927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0497 0.1927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6609 -0.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6609 -0.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6609 -1.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6609 -1.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0497 -1.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0497 -1.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7603 -1.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7603 -1.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3715 0.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3715 0.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0821 -0.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0821 -0.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0821 -1.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0821 -1.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3715 -1.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3715 -1.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4747 -1.4505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4747 -1.4505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1996 -0.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1996 -0.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9245 0.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9245 0.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9245 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9245 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1996 1.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1996 1.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4747 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4747 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5111 1.3707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5111 1.3707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7966 0.1950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7966 0.1950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5111 -0.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5111 -0.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3715 0.9032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3715 0.9032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 1 1 6 0 0 0 | + | 2 1 1 6 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 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 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 2 1 0 0 0 0 | + | 7 2 1 0 0 0 0 |
| − | 4 8 1 0 0 0 0 | + | 4 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 5 1 0 0 0 0 | + | 11 5 1 0 0 0 0 |
| − | 9 19 1 0 0 0 0 | + | 9 19 1 0 0 0 0 |
| − | 7 12 1 6 0 0 0 | + | 7 12 1 6 0 0 0 |
| − | 1 13 2 0 0 0 0 | + | 1 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 1 1 0 0 0 0 | + | 17 1 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL631ANM0001 | + | ID FL631ANM0001 |
| − | KNApSAcK_ID C00013261 | + | KNApSAcK_ID C00013261 |
| − | NAME Tupichinol A;(2R,3R)-3,4-Dihydro-2-(4-hydroxyphenyl)-7-methoxy-8-methyl-2H-1-benzopyran-3-ol | + | NAME Tupichinol A;(2R,3R)-3,4-Dihydro-2-(4-hydroxyphenyl)-7-methoxy-8-methyl-2H-1-benzopyran-3-ol |
| − | CAS_RN 497142-88-8 | + | CAS_RN 497142-88-8 |
| − | FORMULA C17H18O4 | + | FORMULA C17H18O4 |
| − | EXACTMASS 286.120509064 | + | EXACTMASS 286.120509064 |
| − | AVERAGEMASS 286.32241999999997 | + | AVERAGEMASS 286.32241999999997 |
| − | SMILES COc(c3)c(C)c(O1)c(c3)CC(O)C1c(c2)ccc(O)c2 | + | SMILES COc(c3)c(C)c(O1)c(c3)CC(O)C1c(c2)ccc(O)c2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
1.4747 0.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7603 -0.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0497 0.1927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6609 -0.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6609 -1.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0497 -1.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7603 -1.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3715 0.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0821 -0.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0821 -1.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3715 -1.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4747 -1.4505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1996 -0.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9245 0.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9245 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1996 1.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4747 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5111 1.3707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7966 0.1950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5111 -0.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3715 0.9032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 6 0 0 0
2 3 1 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 7 1 0 0 0 0
7 2 1 0 0 0 0
4 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 5 1 0 0 0 0
9 19 1 0 0 0 0
7 12 1 6 0 0 0
1 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 17 2 0 0 0 0
17 1 1 0 0 0 0
15 18 1 0 0 0 0
19 20 1 0 0 0 0
8 21 1 0 0 0 0
S SKP 8
ID FL631ANM0001
KNApSAcK_ID C00013261
NAME Tupichinol A;(2R,3R)-3,4-Dihydro-2-(4-hydroxyphenyl)-7-methoxy-8-methyl-2H-1-benzopyran-3-ol
CAS_RN 497142-88-8
FORMULA C17H18O4
EXACTMASS 286.120509064
AVERAGEMASS 286.32241999999997
SMILES COc(c3)c(C)c(O1)c(c3)CC(O)C1c(c2)ccc(O)c2
M END
