Mol:FL6DE9NF0001
From Metabolomics.JP
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
