Mol:FL5FABGS0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
50 54 0 0 0 0 0 0 0 0999 V2000
-0.9929 -0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9929 -0.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4366 -0.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1197 -0.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1197 -0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4366 0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6760 -0.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2323 -0.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2323 -0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6760 0.3192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6760 -1.4663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9327 0.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4997 0.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0667 0.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0667 1.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4997 1.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9327 1.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4366 -1.6076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6574 0.3817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9614 -0.8207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9514 -1.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4868 -2.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3169 -1.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4868 -0.9855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9514 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1212 -1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7778 -1.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0889 -2.3821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3576 -2.6601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8455 -1.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8741 0.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5030 -0.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9685 -0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4527 -0.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8275 0.2378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2951 -0.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3880 -0.1572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0816 -0.3787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6622 -0.6568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7976 0.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7976 1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7976 1.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1968 2.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1910 2.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5849 1.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9788 2.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3727 1.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9788 2.6601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6735 1.4479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3880 1.0354 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
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
4 3 1 0 0 0 0
1 19 1 0 0 0 0
20 8 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 20 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 19 1 0 0 0 0
36 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 2 0 0 0 0
42 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
46 48 2 0 0 0 0
15 49 1 0 0 0 0
49 50 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 49 50
M SBL 1 1 53
M SMT 1 OCH3
M SBV 1 53 -5.8270 6.7421
S SKP 8
ID FL5FABGS0009
KNApSAcK_ID C00005932
NAME Kaempferide 3-rhamnoside-7-(6''-succinylglucoside)
CAS_RN 107286-94-2
FORMULA C32H36O18
EXACTMASS 708.190164348
AVERAGEMASS 708.61744
SMILES O(C(C5O)OC(C(O)C5O)COC(=O)CCC(O)=O)c(c4)cc(O1)c(c4O)C(C(OC(O3)C(O)C(C(C3C)O)O)=C1c(c2)ccc(OC)c2)=O
M END
