Mol:FL5FFCGS0020
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
38 41 0 0 0 0 0 0 0 0999 V2000
-0.3676 -0.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3676 -1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1887 -1.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7450 -1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7450 -0.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1887 -0.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3013 -1.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8576 -1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8576 -0.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3013 -0.1322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3013 -1.9178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5581 -0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1251 -0.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6921 -0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6921 0.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1251 0.9734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5581 0.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1887 -2.0591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6921 0.6461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8625 -0.1322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4209 -1.5053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5851 -0.1646 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0695 -0.8453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3270 -0.5565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6105 -0.5488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1311 -0.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7807 -0.3709 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.0488 0.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2989 -0.5768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8733 -0.8844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9015 -1.2707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0653 0.8460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7972 1.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0750 1.4647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9565 2.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1887 0.5099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4085 1.5496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8498 2.4469 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
19 15 1 0 0 0 0
20 1 1 0 0 0 0
21 8 1 0 0 0 0
4 3 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
32 28 1 0 0 0 0
25 20 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
6 36 1 0 0 0 0
16 37 1 0 0 0 0
37 38 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 37 38
M SBL 1 1 40
M SMT 1 OCH3
M SVB 1 40 3.4085 1.5496
S SKP 8
ID FL5FFCGS0020
KNApSAcK_ID C00006034
NAME Haploside A
CAS_RN 75055-89-9
FORMULA C24H24O14
EXACTMASS 536.116605476
AVERAGEMASS 536.43896
SMILES O[C@@H]([C@H]4O)[C@@H]([C@@H](OC4COC(C)=O)Oc(c1O)cc(O)c(C(=O)3)c1OC(=C3O)c(c2)cc(c(c2)O)OC)O
M END
