Mol:FL1AAAGS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-1.6755 0.9754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6755 0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9611 -0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9611 1.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2466 0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2466 0.9754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4676 1.3893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1840 0.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1831 0.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7664 -0.4332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1244 0.9589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0205 0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4310 0.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2561 0.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6705 0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2600 1.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4350 1.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6443 -1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1568 -1.7616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3857 -1.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5724 -1.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0599 -0.9410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8310 -1.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0504 -0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5574 -0.4464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0724 -1.6284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6308 -1.5526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4870 -2.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9545 1.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5093 0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7215 1.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9184 0.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3634 1.5351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1514 1.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3352 1.8674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8273 2.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4149 0.9743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9694 1.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8632 0.3830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9611 -0.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3427 1.3605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4149 0.9664 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 5 2 0 0 0 0
6 4 2 0 0 0 0
4 1 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
5 9 1 0 0 0 0
9 10 2 0 0 0 0
8 11 2 0 0 0 0
11 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 19 1 1 0 0 0
19 20 1 1 0 0 0
21 20 1 1 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 18 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
18 26 1 0 0 0 0
19 27 1 0 0 0 0
20 28 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 29 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
29 37 1 0 0 0 0
30 38 1 0 0 0 0
31 39 1 0 0 0 0
3 40 1 0 0 0 0
1 41 1 0 0 0 0
15 42 1 0 0 0 0
40 21 1 0 0 0 0
41 32 1 0 0 0 0
S SKP 8
ID FL1AAAGS0003
KNApSAcK_ID C00014664
NAME 4,6,4'-Trihydroxyaurone 4,6-di-O-glucoside
CAS_RN -
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES c(=O)(c31)c(=Cc(c5)ccc(O)c5)oc(cc(cc3OC(C4O)OC(CO)C(C4O)O)OC(C2O)OC(CO)C(C(O)2)O)1
M END
