Mol:FL3FFAGS0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
0.5740 -1.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5740 -1.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2885 -2.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0030 -1.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0030 -1.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2885 -0.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7174 -2.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4319 -1.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4319 -1.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7174 -0.6019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1464 -0.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8608 -1.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5753 -0.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5753 0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8608 0.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1464 0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7174 -3.0769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2885 -3.0769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3216 0.6540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1456 -0.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2885 0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5064 1.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3485 0.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5255 0.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1512 -0.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0067 0.6448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8297 0.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7878 1.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1515 1.7296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1205 0.8790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6886 0.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8957 -0.2423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7803 2.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3604 3.0769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6041 2.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0240 1.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8479 1.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2523 2.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0773 2.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4978 1.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0933 0.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2683 0.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3216 1.7053 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
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
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
20 1 1 0 0 0 0
6 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
42 37 1 0 0 0 0
40 43 1 0 0 0 0
29 33 1 0 0 0 0
21 25 1 0 0 0 0
S SKP 8
ID FL3FFAGS0015
KNApSAcK_ID C00013643
NAME 8-Hydroxyapigenin 8-(6''-E-p-coumaroylglucoside);5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
CAS_RN 219316-01-5
FORMULA C30H26O13
EXACTMASS 594.137340918
AVERAGEMASS 594.51964
SMILES C(c(c5)ccc(O)c5)=CC(OCC(O1)C(O)C(O)C(O)C1Oc(c(O)2)c(O3)c(C(C=C3c(c4)ccc(O)c4)=O)c(O)c2)=O
M END
