Mol:FL3FGGNS0010
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0748 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0748 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0748 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0748 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5185 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5185 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9622 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9622 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9622 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9622 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5185 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5185 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4059 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4059 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1504 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1504 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1504 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1504 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4059 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4059 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4059 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4059 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7065 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7065 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2735 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2735 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8405 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8405 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8405 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8405 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2735 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2735 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7065 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7065 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5521 0.2585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5521 0.2585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4472 -0.0128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4472 -0.0128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7892 0.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7892 0.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3940 1.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3940 1.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7892 -0.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7892 -0.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7811 -0.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7811 -0.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2404 0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2404 0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8038 1.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8038 1.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5185 -2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5185 -2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5185 -3.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5185 -3.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0143 1.7192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0143 1.7192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7896 2.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7896 2.0014 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 |
| − | 9 12 1 0 0 0 0 | + | 9 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 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 3 26 1 0 0 0 0 | + | 3 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 16 28 1 0 0 0 0 | + | 16 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 28 29 | + | M SAL 4 2 28 29 |
| − | M SBL 4 1 31 | + | M SBL 4 1 31 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 31 1.5569 1.7079 | + | M SVB 4 31 1.5569 1.7079 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 26 27 | + | M SAL 3 2 26 27 |
| − | M SBL 3 1 29 | + | M SBL 3 1 29 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 29 -1.9549 -1.2954 | + | M SVB 3 29 -1.9549 -1.2954 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 24 25 | + | M SAL 2 2 24 25 |
| − | M SBL 2 1 27 | + | M SBL 2 1 27 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 27 -1.2404 0.7229 | + | M SVB 2 27 -1.2404 0.7229 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 25 | + | M SBL 1 1 25 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 25 -2.7892 -0.7222 | + | M SVB 1 25 -2.7892 -0.7222 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FGGNS0010 | + | ID FL3FGGNS0010 |
| − | KNApSAcK_ID C00004009 | + | KNApSAcK_ID C00004009 |
| − | NAME 7-Hydroxy-5,6,8,3'-tetramethoxy-4',5'-methylenedioxyflavone | + | NAME 7-Hydroxy-5,6,8,3'-tetramethoxy-4',5'-methylenedioxyflavone |
| − | CAS_RN 119153-15-0 | + | CAS_RN 119153-15-0 |
| − | FORMULA C20H18O9 | + | FORMULA C20H18O9 |
| − | EXACTMASS 402.095082174 | + | EXACTMASS 402.095082174 |
| − | AVERAGEMASS 402.35152 | + | AVERAGEMASS 402.35152 |
| − | SMILES COc(c12)cc(C(O4)=CC(c(c43)c(OC)c(c(O)c3OC)OC)=O)cc(OCO2)1 | + | SMILES COc(c12)cc(C(O4)=CC(c(c43)c(OC)c(c(O)c3OC)OC)=O)cc(OCO2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
-2.0748 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0748 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5185 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9622 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9622 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5185 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4059 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1504 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1504 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4059 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4059 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7065 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2735 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8405 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8405 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2735 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7065 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5521 0.2585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4472 -0.0128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7892 0.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3940 1.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7892 -0.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7811 -0.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2404 0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8038 1.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5185 -2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5185 -3.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0143 1.7192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7896 2.0014 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
9 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
18 1 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 15 1 0 0 0 0
2 22 1 0 0 0 0
22 23 1 0 0 0 0
6 24 1 0 0 0 0
24 25 1 0 0 0 0
3 26 1 0 0 0 0
26 27 1 0 0 0 0
16 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 28 29
M SBL 4 1 31
M SMT 4 OCH3
M SVB 4 31 1.5569 1.7079
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 26 27
M SBL 3 1 29
M SMT 3 OCH3
M SVB 3 29 -1.9549 -1.2954
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 27
M SMT 2 OCH3
M SVB 2 27 -1.2404 0.7229
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 -2.7892 -0.7222
S SKP 8
ID FL3FGGNS0010
KNApSAcK_ID C00004009
NAME 7-Hydroxy-5,6,8,3'-tetramethoxy-4',5'-methylenedioxyflavone
CAS_RN 119153-15-0
FORMULA C20H18O9
EXACTMASS 402.095082174
AVERAGEMASS 402.35152
SMILES COc(c12)cc(C(O4)=CC(c(c43)c(OC)c(c(O)c3OC)OC)=O)cc(OCO2)1
M END
