Mol:FL3FAECS0003
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 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3489 0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3489 0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3489 -0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3489 -0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7926 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7926 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2363 -0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2363 -0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2363 0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2363 0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7926 0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7926 0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3201 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3201 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8764 -0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8764 -0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8764 0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8764 0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3201 0.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3201 0.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3201 -1.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3201 -1.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7926 -1.5226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7926 -1.5226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5562 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5562 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1424 0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1424 0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7286 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7286 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7286 1.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7286 1.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1424 1.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1424 1.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5562 1.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5562 1.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9022 -0.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9022 -0.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3866 -1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3866 -1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8710 -1.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8710 -1.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1697 -1.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1697 -1.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6647 -0.7007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6647 -0.7007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2216 -0.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2216 -0.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9022 -0.1425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9022 -0.1425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0290 -1.4638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0290 -1.4638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9050 0.4041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9050 0.4041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4522 -0.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4522 -0.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3145 0.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3145 0.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3145 1.5224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3145 1.5224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0290 1.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0290 1.1099 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 3 12 1 0 0 0 0 | + | 3 12 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 1 27 1 0 0 0 0 | + | 1 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 16 30 1 0 0 0 0 | + | 16 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 33 -5.8120 7.0213 | + | M SBV 1 33 -5.8120 7.0213 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAECS0003 | + | ID FL3FAECS0003 |
| − | KNApSAcK_ID C00006136 | + | KNApSAcK_ID C00006136 |
| − | NAME Torosaflavone B;6-(2,6-Dideoxy-beta-D-lyxo-hexopyranosyl)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one | + | NAME Torosaflavone B;6-(2,6-Dideoxy-beta-D-lyxo-hexopyranosyl)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 124961-71-3 | + | CAS_RN 124961-71-3 |
| − | FORMULA C22H22O9 | + | FORMULA C22H22O9 |
| − | EXACTMASS 430.126382302 | + | EXACTMASS 430.126382302 |
| − | AVERAGEMASS 430.40468000000004 | + | AVERAGEMASS 430.40468000000004 |
| − | SMILES C(C(=O)3)=C(c(c4)ccc(c4O)OC)Oc(c31)cc(c(C(C2)OC(C)C(O)C(O)2)c(O)1)O | + | SMILES C(C(=O)3)=C(c(c4)ccc(c4O)OC)Oc(c31)cc(c(C(C2)OC(C)C(O)C(O)2)c(O)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.3489 0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3489 -0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7926 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2363 -0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2363 0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7926 0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3201 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8764 -0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8764 0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3201 0.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3201 -1.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7926 -1.5226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5562 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1424 0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7286 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7286 1.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1424 1.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5562 1.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9022 -0.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3866 -1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8710 -1.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1697 -1.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6647 -0.7007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2216 -0.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9022 -0.1425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0290 -1.4638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9050 0.4041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4522 -0.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3145 0.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3145 1.5224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0290 1.1099 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
7 11 2 0 0 0 0
3 12 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
9 13 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
2 22 1 0 0 0 0
1 27 1 0 0 0 0
24 28 1 0 0 0 0
15 29 1 0 0 0 0
16 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 OCH3
M SBV 1 33 -5.8120 7.0213
S SKP 8
ID FL3FAECS0003
KNApSAcK_ID C00006136
NAME Torosaflavone B;6-(2,6-Dideoxy-beta-D-lyxo-hexopyranosyl)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 124961-71-3
FORMULA C22H22O9
EXACTMASS 430.126382302
AVERAGEMASS 430.40468000000004
SMILES C(C(=O)3)=C(c(c4)ccc(c4O)OC)Oc(c31)cc(c(C(C2)OC(C)C(O)C(O)2)c(O)1)O
M END
