Mol:FL5FAAGS0058
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
39 42 0 0 0 0 0 0 0 0999 V2000
0.0856 -0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0856 -0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6419 -1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1982 -0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1982 -0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6419 0.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7545 -1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3108 -0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3108 -0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7545 0.1641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7545 -1.6215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8669 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4338 -0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0008 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0008 0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4338 1.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8669 0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6419 -1.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7945 1.1979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4094 0.1641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9246 -1.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4244 -0.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0532 -0.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5187 -0.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0030 -0.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3778 0.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8454 -0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9382 -0.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6319 -0.5957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2125 -0.8738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2042 0.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2042 0.8968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7796 1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7796 1.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2834 0.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7871 1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2908 0.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2908 0.3565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7945 1.2290 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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
20 1 1 0 0 0 0
21 8 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
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 20 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
37 39 1 0 0 0 0
S SKP 8
ID FL5FAAGS0058
KNApSAcK_ID C00005871
NAME Kaempferol 7-(6''-p-succinylglucoside)
CAS_RN 72947-91-2
FORMULA C25H24O14
EXACTMASS 548.116605476
AVERAGEMASS 548.44966
SMILES OC(C4O)C(COC(CCC(O)=O)=O)OC(C4O)Oc(c3)cc(c2c3O)OC(=C(C2=O)O)c(c1)ccc(c1)O
M END
