Mol:FL5FCAGS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
0.0068 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0068 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7212 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4357 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4357 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7212 1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7077 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4222 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1366 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1366 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4222 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7077 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8511 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5656 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5656 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8511 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4222 -1.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2801 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0301 -1.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0364 1.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8511 -1.7842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0127 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2825 1.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6149 1.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4321 1.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0763 0.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7440 1.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9268 1.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6834 1.5731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5100 1.3444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0127 0.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6434 0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7006 -0.1134 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
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 21 1 0 0 0 0
18 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
28 30 1 0 0 0 0
27 31 1 0 0 0 0
26 32 1 0 0 0 0
32 33 1 0 0 0 0
24 20 1 0 0 0 0
S SKP 8
ID FL5FCAGS0007
KNApSAcK_ID C00013810
NAME Kaempferol 7-methyl ether 4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)phenyl]-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one
CAS_RN 178402-89-6
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES C(=C2c(c4)ccc(c4)OC(C(O)3)OC(CO)C(O)C3O)(C(c(c(O2)1)c(cc(c1)OC)O)=O)O
M END
