Mol:FL6DE9NF0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6004 0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6004 0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6004 -0.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6004 -0.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0441 -0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0441 -0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4878 -0.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4878 -0.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4878 0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4878 0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0441 0.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0441 0.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0685 -0.8386 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.0685 -0.8386 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.6248 -0.5175 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.6248 -0.5175 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.6248 0.1249 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.6248 0.1249 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0685 0.4461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0685 0.4461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1809 0.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1809 0.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7479 0.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7479 0.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3149 0.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3149 0.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3149 1.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3149 1.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7479 1.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7479 1.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1809 1.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1809 1.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1776 1.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1776 1.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8165 1.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8165 1.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0778 0.5547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0778 0.5547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3679 -0.9992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3679 -0.9992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3064 -1.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3064 -1.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0233 -1.3798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0233 -1.3798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4428 -2.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4428 -2.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0441 -1.8386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0441 -1.8386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0441 -2.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0441 -2.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3149 -0.4260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3149 -0.4260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3068 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3068 -0.2990 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 |
| − | 9 11 1 0 0 0 0 | + | 9 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 |
| − | 6 17 1 0 0 0 0 | + | 6 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
| − | 7 20 1 0 0 0 0 | + | 7 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 8 22 1 0 0 0 0 | + | 8 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 3 24 1 0 0 0 0 | + | 3 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 2 26 1 0 0 0 0 | + | 2 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 4 2 26 27 |
| − | M SBL 4 1 29 | + | M SBL 4 1 29 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 29 -2.3149 -0.426 | + | M SVB 4 29 -2.3149 -0.426 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 24 25 | + | M SAL 3 2 24 25 |
| − | M SBL 3 1 27 | + | M SBL 3 1 27 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 27 -1.4522 -1.0155 | + | M SVB 3 27 -1.4522 -1.0155 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 25 1.0233 -1.3798 | + | M SVB 2 25 1.0233 -1.3798 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 -0.3679 -0.9992 | + | M SVB 1 23 -0.3679 -0.9992 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6DE9NF0001 | + | ID FL6DE9NF0001 |
| − | KNApSAcK_ID C00009026 | + | KNApSAcK_ID C00009026 |
| − | NAME 3,4,5,6-Tetramethoxyfurano[2,3-h]flavan | + | NAME 3,4,5,6-Tetramethoxyfurano[2,3-h]flavan |
| − | CAS_RN 77970-11-7 | + | CAS_RN 77970-11-7 |
| − | FORMULA C21H22O6 | + | FORMULA C21H22O6 |
| − | EXACTMASS 370.141638436 | + | EXACTMASS 370.141638436 |
| − | AVERAGEMASS 370.39578 | + | AVERAGEMASS 370.39578 |
| − | SMILES O(C)C(C1c(c4)cccc4)C(OC)c(c(OC)2)c(c(c3)c(oc3)c2OC)O1 | + | SMILES O(C)C(C1c(c4)cccc4)C(OC)c(c(OC)2)c(c(c3)c(oc3)c2OC)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-1.6004 0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6004 -0.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 -0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4878 -0.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4878 0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 0.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 -0.8386 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.6248 -0.5175 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.6248 0.1249 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0685 0.4461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1809 0.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 0.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3149 0.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3149 1.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 1.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1809 1.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1776 1.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8165 1.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0778 0.5547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3679 -0.9992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3064 -1.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0233 -1.3798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4428 -2.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 -1.8386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 -2.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3149 -0.4260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3068 -0.2990 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
9 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
6 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 1 1 0 0 0 0
7 20 1 0 0 0 0
20 21 1 0 0 0 0
8 22 1 0 0 0 0
22 23 1 0 0 0 0
3 24 1 0 0 0 0
24 25 1 0 0 0 0
2 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 26 27
M SBL 4 1 29
M SMT 4 OCH3
M SVB 4 29 -2.3149 -0.426
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 27
M SMT 3 OCH3
M SVB 3 27 -1.4522 -1.0155
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 1.0233 -1.3798
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 -0.3679 -0.9992
S SKP 8
ID FL6DE9NF0001
KNApSAcK_ID C00009026
NAME 3,4,5,6-Tetramethoxyfurano[2,3-h]flavan
CAS_RN 77970-11-7
FORMULA C21H22O6
EXACTMASS 370.141638436
AVERAGEMASS 370.39578
SMILES O(C)C(C1c(c4)cccc4)C(OC)c(c(OC)2)c(c(c3)c(oc3)c2OC)O1
M END
