Mol:FL5FABGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-2.3538 0.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3538 0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7975 -0.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2412 0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2412 0.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7975 1.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6849 -0.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1286 0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1286 0.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6849 1.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6849 -0.6085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4275 1.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9945 0.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5615 1.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5615 1.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9945 2.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4275 1.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9099 1.1769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3048 -0.2199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7975 -0.7498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1162 -1.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7444 -1.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5451 -0.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7444 -0.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1162 0.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3155 -0.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0858 -0.5674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2776 -1.8714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5928 -2.1976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1653 -1.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1954 2.1976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9099 1.7851 0.0000 C 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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 21 1 1 0 0 0
26 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
25 19 1 0 0 0 0
15 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SBV 1 34 -3.7989 4.8518
S SKP 8
ID FL5FABGS0002
KNApSAcK_ID C00005288
NAME Kaempferide 3-rhamnoside;Kaempferol 4'-methyl ether 3-rhamnoside;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 148435-12-5
FORMULA C22H22O10
EXACTMASS 446.121296924
AVERAGEMASS 446.40408
SMILES OC(C1OC(C(=O)3)=C(Oc(c4)c3c(cc4O)O)c(c2)ccc(OC)c2)C(C(O)C(C)O1)O
M END
