Mol:FL1A3CGS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-0.6015 -1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6015 -0.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1207 -0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6399 -0.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6399 -1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1207 -1.5831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0313 -1.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3211 -0.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0313 -0.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1591 -0.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7629 -0.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6467 -0.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9470 -1.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5476 -1.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8479 -0.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5476 -0.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9470 -0.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4474 -0.9836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1131 -2.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8474 0.0557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1207 0.2155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7525 1.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6760 0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1092 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6597 0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7969 0.9704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3252 0.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4474 1.4086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1912 1.0636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1010 0.1131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4075 1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9909 2.0072 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
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
4 10 1 0 0 0 0
8 11 2 0 0 0 0
11 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
15 18 1 0 0 0 0
7 19 2 0 0 0 0
16 20 1 0 0 0 0
3 21 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
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 21 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 ^CH2OH
M SBV 1 34 -7.2590 4.8219
S SKP 8
ID FL1A3CGS0006
KNApSAcK_ID C00008055
NAME Maritimetin 7-glucoside
CAS_RN 134955-54-7
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES c(c24)(c(c(cc4)O)OC(C(O)3)OC(CO)C(O)C3O)oc(c(=O)2)=Cc(c1)ccc(c1O)O
M END
