Mol:FL3FFACS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-0.9916 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9916 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4353 -0.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1210 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1210 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4353 0.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6773 -0.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2336 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2336 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6773 0.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6773 -1.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4353 -1.4927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9134 0.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4996 0.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0859 0.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0859 1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4996 1.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9134 1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6717 1.5523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5450 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0294 -1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5137 -1.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8125 -1.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3075 -0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8644 -0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5167 -0.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6717 -1.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9596 -1.5525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5477 0.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4353 1.0763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5517 -0.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8372 -0.7584 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
16 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
2 23 1 0 0 0 0
1 29 1 0 0 0 0
6 30 1 0 0 0 0
25 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 CH2OH
M SBV 1 34 -5.7279 7.3060
S SKP 8
ID FL3FFACS0001
KNApSAcK_ID C00006103
NAME 6-C-Galactosylisoscutellarein;6-beta-D-Galactopyranosyl-5,7,8-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 82014-23-1
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES C(C(O)1)(c(c4O)c(c(c(c4O)2)C(=O)C=C(c(c3)ccc(O)c3)O2)O)OC(CO)C(O)C1O
M END
