Mol:FL5FACGL0059
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-4.6005 0.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6005 0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0442 -0.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4879 0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4879 0.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0442 1.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9316 -0.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3753 0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3753 0.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9316 1.2767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9316 -0.5089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8192 1.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2522 0.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6852 1.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6852 1.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2522 2.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8192 1.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7272 -0.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6817 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0694 -0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3239 -0.2041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4261 -0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8138 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0683 0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4088 0.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3371 0.5069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4281 0.0896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1184 2.2585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0442 -0.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2114 1.1540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0550 -0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4006 -1.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6902 -1.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3576 -2.3224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2522 2.9131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2268 -1.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5787 -2.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2825 -2.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6042 -2.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2476 -2.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5693 -2.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2476 -1.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6042 -1.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2114 -2.3559 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
19 20 1 0 0 0 0
20 21 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
20 18 1 0 0 0 0
18 8 1 0 0 0 0
22 21 1 1 0 0 0
15 28 1 0 0 0 0
3 29 1 0 0 0 0
1 30 1 0 0 0 0
22 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
16 35 1 0 0 0 0
33 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
41 42 1 0 0 0 0
42 43 2 0 0 0 0
43 38 1 0 0 0 0
41 44 1 0 0 0 0
S SKP 8
ID FL5FACGL0059
KNApSAcK_ID C00005961
NAME Helichrysoside
CAS_RN 56343-26-1
FORMULA C30H26O14
EXACTMASS 610.13225554
AVERAGEMASS 610.51904
SMILES C(c(c5)ccc(O)c5)=CC(OCC(C4O)OC(C(C4O)O)OC(C3=O)=C(Oc(c32)cc(cc2O)O)c(c1)ccc(c(O)1)O)=O
M END
