Mol:FL3FFCGS0020
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
0.3046 0.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3046 0.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7557 -0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2068 0.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2068 0.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7557 0.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6578 -0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1089 0.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1089 0.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6578 0.8574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8294 -0.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5598 0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0195 0.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4792 0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4792 1.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0195 1.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5598 1.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7557 -0.7040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1566 0.9046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4792 1.3882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9268 0.7429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.4112 0.0623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6687 0.3510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.9522 0.3588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4729 0.8795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2313 0.6071 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.5033 0.4101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2150 0.0231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2433 -0.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9638 -1.6822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1743 -1.0927 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6587 -1.7733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9162 -1.4846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1997 -1.4769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7204 -0.9561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4788 -1.2697 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.2839 -1.7733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4908 -2.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7742 1.3769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6701 -0.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6268 -0.1548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8405 1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9124 2.0359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2493 2.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6377 3.1203 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
3 18 1 0 0 0 0
19 1 1 0 0 0 0
15 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
32 37 1 0 0 0 0
33 38 1 0 0 0 0
30 31 1 0 0 0 0
34 29 1 0 0 0 0
24 19 1 0 0 0 0
6 39 1 0 0 0 0
36 40 1 0 0 0 0
40 41 1 0 0 0 0
26 42 1 0 0 0 0
42 43 1 0 0 0 0
16 44 1 0 0 0 0
44 45 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 42 43
M SBL 3 1 46
M SMT 3 CH2OH
M SVB 3 46 -2.5269 1.4146
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 40 41
M SBL 2 1 44
M SMT 2 CH2OH
M SVB 2 44 -2.6701 -0.4459
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 44 45
M SBL 1 1 48
M SMT 1 OCH3
M SVB 1 48 3.2493 2.1988
S SKP 8
ID FL3FFCGS0020
KNApSAcK_ID C00004520
NAME 8-Hydroxyluteolin 3'-methyl ether 7-sophoroside
CAS_RN 151363-23-4
FORMULA C28H32O17
EXACTMASS 640.163949598
AVERAGEMASS 640.54348
SMILES c(C(=C2)Oc(c3O)c(c(cc3O[C@@H]([C@@H](O[C@@H]([C@H]5O)OC([C@@H]([C@@H]5O)O)CO)4)OC(CO)[C@@H]([C@H](O)4)O)O)C2=O)(c1)ccc(c(OC)1)O
M END
