Mol:FL3FAECS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-1.0624 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0624 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5061 -1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0502 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0502 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5061 0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6065 -1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1628 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1628 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6065 0.0959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6065 -1.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5061 -1.8310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8426 0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4288 -0.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0150 0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0150 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4288 1.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8426 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6158 -1.1122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.1002 -1.6897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5846 -1.3803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8833 -1.4628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3783 -1.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9352 -1.2772 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.3154 -1.2996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7426 -1.7722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0305 -1.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6185 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4288 1.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6009 1.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3154 0.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1362 -0.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0913 -0.0938 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 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
21 27 1 0 0 0 0
2 22 1 0 0 0 0
1 28 1 0 0 0 0
17 29 1 0 0 0 0
16 30 1 0 0 0 0
30 31 1 0 0 0 0
24 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 35
M SMT 2 CH2OH
M SVB 2 35 -3.1362 -0.3901
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 SVB 1 33 3.6009 1.214
S SKP 8
ID FL3FAECS0002
KNApSAcK_ID C00006123
NAME 6-C-beta-D-Glucopyranosyldiosmetin;6-beta-D-Glucopyranosyl-5,7,3'-trihydroxy-4'-methoxyflavone;6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 15822-82-9
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES O(c23)C(=CC(=O)c(c(c([C@@H]([C@@H](O)4)OC([C@@H]([C@@H]4O)O)CO)c(O)c3)O)2)c(c1)ccc(c1O)OC
M END
