Mol:FL3FECGS0045
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
4.7642 0.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7642 0.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4787 -0.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1931 0.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1931 0.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4787 1.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0497 -0.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3353 0.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6208 -0.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6208 -1.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3353 -1.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0497 -1.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9063 0.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1919 -0.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1919 -1.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9063 -1.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3353 -2.3036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4774 0.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9063 -2.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8987 1.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8576 -0.3190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5387 -1.5499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2560 0.4355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8435 -0.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0454 -0.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2522 -0.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6646 0.4179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4628 0.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6197 0.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0994 1.0715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7391 -0.0475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2920 -0.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2168 -0.7096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7803 1.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7803 2.3036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4539 1.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1871 1.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8704 1.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5849 1.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2993 1.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2993 0.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5849 -0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8704 0.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8680 0.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.8987 1.5029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
16 19 1 0 0 0 0
5 20 1 0 0 0 0
4 21 1 0 0 0 0
15 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 18 1 0 0 0 0
30 34 1 0 0 0 0
34 35 2 0 0 0 0
34 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
41 42 1 0 0 0 0
42 43 2 0 0 0 0
43 38 1 0 0 0 0
41 44 1 0 0 0 0
40 45 1 0 0 0 0
S SKP 8
ID FL3FECGS0045
KNApSAcK_ID C00013690
NAME Spicoside A;6-Hydroxyluteolin 7-(6''-(E)-caffeoylglucoside);2-(3,4-Dihydroxyphenyl)-7-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,6-dihydroxy-4H-1-benzopyran-4-one
CAS_RN 651317-77-0
FORMULA C30H26O15
EXACTMASS 626.127170162
AVERAGEMASS 626.51844
SMILES C(O4)(c(c5)cc(O)c(c5)O)=CC(=O)c(c41)c(c(O)c(OC(O2)C(C(C(O)C2COC(=O)C=Cc(c3)ccc(O)c3O)O)O)c1)O
M END
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