Mol:FL3FACGS0030
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-0.0217 -0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0217 -1.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4293 -1.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8804 -1.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8804 -0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4293 -0.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3315 -1.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7825 -1.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7825 -0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3315 -0.6990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5032 -2.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2334 -0.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6931 -0.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1529 -0.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1529 -0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6931 0.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2334 -0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5412 -0.6595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4293 -2.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7472 0.1749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1707 -1.3498 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6551 -2.0304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9126 -1.7417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1961 -1.7339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7167 -1.2132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4752 -1.4855 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.7472 -1.6826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4589 -2.0695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4871 -2.4558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6931 0.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9640 2.2835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.8474 1.4377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5766 1.1168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0886 0.6157 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0887 1.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3598 1.6958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.3210 2.4558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2513 1.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3724 0.3110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0842 -0.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4967 -0.1642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9936 2.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0652 3.0009 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
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
24 18 1 0 0 0 0
16 30 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
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 30 1 0 0 0 0
26 40 1 0 0 0 0
40 41 1 0 0 0 0
36 42 1 0 0 0 0
42 43 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 42 43
M SBL 2 1 46
M SMT 2 CH2OH
M SVB 2 46 1.9936 2.0035
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 40 41
M SBL 1 1 44
M SMT 1 CH2OH
M SVB 1 44 -2.7707 -0.6781
S SKP 8
ID FL3FACGS0030
KNApSAcK_ID C00004290
NAME Luteolin 7,3'-diglucoside
CAS_RN 52187-80-1
FORMULA C27H30O16
EXACTMASS 610.153384912
AVERAGEMASS 610.5175
SMILES [C@@H]([C@H](O)1)(O)[C@H](C(CO)O[C@H]1Oc(c2)cc(c(C(=O)3)c2OC(c(c4)cc(O[C@H](O5)[C@H]([C@H]([C@@H](O)C(CO)5)O)O)c(c4)O)=C3)O)O
M END
