Mol:FL7AACGL0123
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
51 57 0 0 0 0 0 0 0 0999 V2000
-0.6431 0.8250 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3576 0.4125 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6431 1.6500 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0721 0.8250 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3576 -0.4125 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0714 2.0626 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3576 2.0625 -7.9733 O 0 3 0 0 0 6 0 0 0 0 0 0
-2.0721 1.6500 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7866 0.4125 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0721 -0.8250 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0713 2.8875 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7859 1.6500 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7866 2.0625 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7866 -0.4125 -7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5011 0.8250 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0721 -1.6500 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7859 3.3001 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5003 2.0625 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5010 1.6501 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3575 -2.0626 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7866 -2.0626 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5004 2.8875 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7858 4.1251 -7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2155 2.0626 -7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3576 -2.8876 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7866 -2.8876 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2148 3.3000 -7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0720 -3.3001 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0721 -4.1251 -7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2155 -0.4814 -6.4550 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2289 0.1776 -6.4550 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7937 -1.9321 7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1801 -1.2628 7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4372 -1.4752 7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6895 -1.2628 7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3030 -1.9321 7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0461 -1.7198 7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7840 -2.9045 7.5436 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5711 -2.5104 7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5092 -1.7194 7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0248 -1.3506 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5529 0.1123 -4.3313 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6877 0.6948 -2.7813 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3014 0.0256 -2.7813 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0443 0.2379 -2.7813 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7919 0.0256 -2.7813 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1784 0.6948 -2.7813 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4354 0.4825 -2.7813 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9269 0.6761 -3.2109 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7413 1.0124 -2.7813 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9723 0.4821 -2.7813 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 1 1 0
33 32 1 1
33 34 1 0
34 35 1 0
36 35 1 0
36 37 1 1
37 32 1 1
32 38 1 0
37 39 1 0
36 40 1 0
35 41 1 0
30 33 1 0
43 44 1 0
44 45 1 1
45 46 1 1
47 46 1 1
47 48 1 0
48 43 1 0
43 49 1 0
48 50 1 0
46 42 1 0
47 51 1 0
31 44 1 0
30 42 1 0
M CHG 1 7 1
S SKP 9
AUTODRAW FALSE
ID FL7AACGL0123
KNApSAcK_ID
NAME Pyranocyanin C
CAS_RN 487021-49-8
FORMULA C35H35O16
EXACTMASS 711.192510072
AVERAGEMASS 711.6428
SMILES C(C(Oc(c(c(c7)cc(c(c7)O)O)5)c(c43)C=C(c(c6)ccc(O)c6)Oc3cc(O)cc4[o+1]5)1)(C(O)C(O)C(COC(C2O)OC(C(O)C2O)C)O1)O
M END
