Mol:FL2F1ACS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0665 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0665 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0665 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0665 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5102 -1.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5102 -1.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9539 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9539 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9539 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9539 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5102 -0.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5102 -0.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3976 -1.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3976 -1.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1587 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1587 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1587 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1587 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3976 -0.5777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3976 -0.5777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3976 -2.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3976 -2.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6226 -0.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6226 -0.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2648 2.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2648 2.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8704 1.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8704 1.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6135 0.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6135 0.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6066 0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6066 0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1433 0.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1433 0.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4483 1.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4483 1.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7189 2.1068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7189 2.1068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9052 2.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9052 2.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2489 0.6089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2489 0.6089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7492 -0.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7492 -0.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3739 -0.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3739 -0.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9986 -0.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9986 -0.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9986 0.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9986 0.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3739 0.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3739 0.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7492 0.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7492 0.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6226 0.4848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6226 0.4848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0132 1.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0132 1.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2987 1.2298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2987 1.2298 0.0000 O 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 13 14 1 1 0 0 0 | + | 13 14 1 1 0 0 0 |
| − | 14 15 1 1 0 0 0 | + | 14 15 1 1 0 0 0 |
| − | 16 15 1 1 0 0 0 | + | 16 15 1 1 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 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 6 16 1 0 0 0 0 | + | 6 16 1 0 0 0 0 |
| − | 9 22 1 6 0 0 0 | + | 9 22 1 6 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 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 18 29 1 0 0 0 0 | + | 18 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 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 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 32 -7.0310 5.6636 | + | M SBV 1 32 -7.0310 5.6636 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F1ACS0001 | + | ID FL2F1ACS0001 |
| − | KNApSAcK_ID C00006112 | + | KNApSAcK_ID C00006112 |
| − | NAME Aervanone;(2S)-8-beta-D-Galactopyranosyl-2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | + | NAME Aervanone;(2S)-8-beta-D-Galactopyranosyl-2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 75775-37-0 | + | CAS_RN 75775-37-0 |
| − | FORMULA C21H22O9 | + | FORMULA C21H22O9 |
| − | EXACTMASS 418.126382302 | + | EXACTMASS 418.126382302 |
| − | AVERAGEMASS 418.39398 | + | AVERAGEMASS 418.39398 |
| − | SMILES c(c4)(c(c(c(c4)3)OC(CC(=O)3)c(c2)ccc(O)c2)C(C(O)1)OC(CO)C(O)C1O)O | + | SMILES c(c4)(c(c(c(c4)3)OC(CC(=O)3)c(c2)ccc(O)c2)C(C(O)1)OC(CO)C(O)C1O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-2.0665 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0665 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5102 -1.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9539 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9539 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5102 -0.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3976 -1.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1587 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1587 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3976 -0.5777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3976 -2.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6226 -0.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2648 2.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8704 1.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6135 0.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6066 0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1433 0.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4483 1.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7189 2.1068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9052 2.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2489 0.6089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7492 -0.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3739 -0.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9986 -0.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9986 0.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3739 0.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7492 0.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6226 0.4848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0132 1.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2987 1.2298 0.0000 O 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
7 11 2 0 0 0 0
1 12 1 0 0 0 0
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
6 16 1 0 0 0 0
9 22 1 6 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 26 1 0 0 0 0
26 27 2 0 0 0 0
27 22 1 0 0 0 0
25 28 1 0 0 0 0
18 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 CH2OH
M SBV 1 32 -7.0310 5.6636
S SKP 8
ID FL2F1ACS0001
KNApSAcK_ID C00006112
NAME Aervanone;(2S)-8-beta-D-Galactopyranosyl-2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 75775-37-0
FORMULA C21H22O9
EXACTMASS 418.126382302
AVERAGEMASS 418.39398
SMILES c(c4)(c(c(c(c4)3)OC(CC(=O)3)c(c2)ccc(O)c2)C(C(O)1)OC(CO)C(O)C1O)O
M END
