Mol:FL3FACGS0059
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
37 40 0 0 0 0 0 0 0 0999 V2000
1.0278 -0.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0278 -0.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4789 -0.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9300 -0.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9300 -0.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4789 0.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3810 -0.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8321 -0.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8321 -0.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3810 0.2003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5527 -1.2092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2830 0.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7427 -0.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2024 0.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2024 0.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7427 0.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2830 0.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5083 0.2398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4789 -1.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7968 1.0742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7427 1.5273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1435 -0.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1435 -0.6286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 0.2136 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.7500 0.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4553 -0.1937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0830 -0.4212 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.5673 -1.1018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8248 -0.8131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1084 -0.8053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.6290 -0.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2786 -0.6274 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.7968 -0.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3711 -1.1409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3994 -1.5273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4690 0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4145 0.6783 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
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
18 1 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
16 21 1 0 0 0 0
18 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
27 28 1 1 0 0 0
28 29 1 1 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 27 1 0 0 0 0
27 33 1 0 0 0 0
28 34 1 0 0 0 0
29 35 1 0 0 0 0
30 26 1 0 0 0 0
32 36 1 0 0 0 0
36 37 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 36 37
M SBL 1 1 39
M SMT 1 CH2OH
M SVB 1 39 -3.469 0.3526
S SKP 8
ID FL3FACGS0059
KNApSAcK_ID C00004321
NAME Luteolin 7-(2''-glucosyllactate)
CAS_RN 126394-93-2
FORMULA C24H24O13
EXACTMASS 520.121690854
AVERAGEMASS 520.43956
SMILES c(c4)(O)c(cc(c4)C(=C3)Oc(c1)c(C3=O)c(cc(OC(C(C)O[C@@H]([C@@H](O)2)OC([C@H](O)[C@H](O)2)CO)=O)1)O)O
M END
