Mol:FL7AACGL0124
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 46 0 0 0 0 0 0 0 0999 V2000
-0.2500 0.8250 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9645 0.4125 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2500 1.6500 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6790 0.8250 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9645 -0.4125 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4645 2.0626 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9645 2.0625 -0.7591 O 0 3 0 0 0 6 0 0 0 0 0 0
-1.6790 1.6500 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3935 0.4125 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6790 -0.8250 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4644 2.8875 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1790 1.6500 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3935 2.0625 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3935 -0.4125 -0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1080 0.8250 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6790 -1.6500 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1790 3.3001 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8934 2.0625 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1079 1.6501 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9644 -2.0626 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3935 -2.0626 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8935 2.8875 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1789 4.1251 -0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8224 2.0626 -0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9645 -2.8876 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3935 -2.8876 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6079 3.3000 -0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6789 -3.3001 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6790 -4.1251 -0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4472 1.2274 -0.5597 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1623 0.2349 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6856 0.8642 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9990 0.5973 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3365 0.5901 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8180 0.1085 0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4186 0.4255 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8224 0.6159 0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4288 0.9004 0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0158 -0.2193 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0158 -0.9082 0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6220 0.1776 0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 3 1 0
2 4 1 0
2 5 1 0
3 6 1 0
3 7 2 0
4 8 2 0
4 9 1 0
5 10 2 0
6 11 1 0
6 12 2 0
7 8 1 0
8 13 1 0
9 14 1 0
9 15 2 0
10 14 1 0
10 16 1 0
11 17 2 0
12 18 1 0
13 19 2 0
15 19 1 0
16 20 2 0
16 21 1 0
17 22 1 0
17 23 1 0
18 22 2 0
19 24 1 0
20 25 1 0
21 26 2 0
22 27 1 0
25 28 2 0
26 28 1 0
28 29 1 0
31 32 1 0
32 33 1 0
34 33 1 0
34 35 1 1
36 35 1 1
31 36 1 1
31 37 1 0
32 38 1 0
36 39 1 0
39 40 1 0
30 33 1 0
34 41 1 0
41 1 1 0
M CHG 1 7 1
S SKP 9
AUTODRAW FALSE
ID FL7AACGL0124
KNApSAcK_ID
NAME Pyranocyanin D
CAS_RN 487021-53-4
FORMULA C29H25O12
EXACTMASS 565.134601264
AVERAGEMASS 565.5016
SMILES c(c(O)5)c(c42)[o+1]c(c(OC(O6)C(O)C(O)C(O)C(CO)6)c2C=C(Oc4c5)c(c3)ccc(c3)O)c(c1)cc(O)c(O)c1
M END
