Mol:FL5FFAGS0027
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
2.9569 0.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9569 -0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6713 -0.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3858 -0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3858 0.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6713 1.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2424 -0.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5279 -0.0409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8135 -0.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8135 -1.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5279 -1.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2424 -1.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0990 -0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6155 -0.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6155 -1.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0990 -1.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5279 -2.4092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3299 -0.0409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9130 -1.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9865 1.1309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0990 -2.3904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0990 0.6132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9688 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2951 1.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1782 1.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3594 0.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7074 0.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8242 1.2681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6430 1.3712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5706 1.9734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9129 2.4092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9235 1.6085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4982 1.4676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7568 0.4269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3582 1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2413 0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4225 0.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7705 0.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8873 0.8685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7061 0.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6337 1.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9760 2.0096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9865 1.2089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5613 1.0680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8198 0.0274 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
13 22 1 0 0 0 0
18 23 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 34 1 0 0 0 0
35 36 1 1 0 0 0
36 37 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 35 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
35 43 1 0 0 0 0
36 44 1 0 0 0 0
37 45 1 0 0 0 0
38 34 1 0 0 0 0
22 27 1 0 0 0 0
S SKP 8
ID FL5FFAGS0027
KNApSAcK_ID C00013830
NAME Herbacetin 7-methyl ether 8-sophoroside
CAS_RN -
FORMULA C28H32O17
EXACTMASS 640.163949598
AVERAGEMASS 640.54348
SMILES c(O2)(c1OC(C(OC(O5)C(O)C(C(C5CO)O)O)4)OC(CO)C(O)C4O)c(C(=O)C(O)=C2c(c3)ccc(O)c3)c(O)cc1OC
M END
