Mol:FL3FAAGS0069
From Metabolomics.JP
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Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
1.2186 -0.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2186 -1.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9330 -1.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6475 -1.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6475 -0.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9330 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3620 -1.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0764 -1.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0764 -0.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3620 0.0771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7909 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5054 -0.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2199 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2199 0.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5054 1.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7909 0.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3620 -2.3979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9330 -2.3979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9662 1.3330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4990 0.0116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0206 0.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4326 1.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0206 2.3979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2564 1.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6684 0.9709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4923 0.9709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9048 1.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7298 1.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1423 0.9709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7298 0.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9048 0.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9662 0.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1281 0.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7154 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9171 -0.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1236 -0.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5362 0.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3346 0.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4915 0.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7474 0.0141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0886 -0.8426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2023 -0.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7352 -1.0963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7352 -0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1956 -0.3176 0.0000 C 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
21 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 26 1 0 0 0 0
29 32 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
38 39 1 0 0 0 0
33 40 1 0 0 0 0
34 42 1 0 0 0 0
35 41 1 0 0 0 0
36 20 1 0 0 0 0
21 39 1 0 0 0 0
42 44 1 0 0 0 0
43 44 2 0 0 0 0
44 45 1 0 0 0 0
S SKP 8
ID FL3FAAGS0069
KNApSAcK_ID C00013619
NAME Apigenin 7-(3''-acetyl-6''-E-p-coumaroylglucoside);7-[[3-O-Acetyl-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-b-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 474766-92-2
FORMULA C32H28O13
EXACTMASS 620.152990982
AVERAGEMASS 620.55692
SMILES c(c5)c(ccc(O)5)C=CC(=O)OCC(O1)C(O)C(C(C1Oc(c4)cc(c(c4O)2)OC(c(c3)ccc(c3)O)=CC2=O)O)OC(C)=O
M END
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