Mol:FL2FADGS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-0.4795 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0414 -1.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5623 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5623 -0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0414 0.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4795 -0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0832 -1.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6041 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6041 -0.1386 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.0832 0.1621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0832 -1.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0414 -1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9862 0.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1838 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7125 -0.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2412 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2412 0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7125 1.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1838 0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2412 0.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3852 -0.3672 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0411 -0.8214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5456 -0.6287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0674 -0.6235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4149 -0.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9210 -0.4578 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.7698 -0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3659 -1.2489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2616 -1.1053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0965 -0.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9672 0.6275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3989 1.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8977 0.9371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8147 1.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9768 1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4005 2.5475 0.0000 C 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
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
7 11 2 0 0 0 0
2 12 1 0 0 0 0
6 13 1 0 0 0 0
9 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
26 30 1 0 0 0 0
24 13 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
18 35 1 0 0 0 0
35 36 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 35 36
M SBL 1 1 38
M SMT 1 OCH3
M SVB 1 38 2.9768 1.6417
S SKP 8
ID FL2FADGS0003
KNApSAcK_ID C00008442
NAME Viscumneoside VI
CAS_RN 118985-26-5
FORMULA C24H26O12
EXACTMASS 506.142426296
AVERAGEMASS 506.45604
SMILES Oc(c3)c(C(=O)1)c(cc3O[C@@H]([C@H]4O)OC(COC(C)=O)[C@@H]([C@@H]4O)O)OC(c(c2)cc(c(c2)O)OC)C1
M END
