Mol:FL7AACGL0046
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
50 54 0 0 0 0 0 0 0 0999 V2000
-3.1842 0.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1842 -0.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6279 -0.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0716 -0.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0716 0.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6279 0.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5153 -0.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9590 -0.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9590 0.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5153 0.8997 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
-0.4029 0.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1641 0.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7310 0.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7310 1.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1641 1.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4029 1.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7403 0.8996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2978 1.8815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6279 -1.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5429 -0.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1641 2.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7867 -1.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4155 -1.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8810 -1.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3653 -1.5779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7400 -1.2030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2076 -1.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3005 -1.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9941 -1.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5748 -2.0976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6725 -0.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7176 -0.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4168 -0.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9953 -0.7989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5773 -0.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8782 -0.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2996 -0.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1589 -0.5929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5378 -0.1960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5815 -0.6317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1288 -0.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4734 -1.5610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0446 -1.8908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6340 -1.5505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0446 -2.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6725 -0.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1458 -1.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7232 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3005 -1.9251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7232 -0.9251 0.0000 O 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
3 4 1 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 1 0 0 0 0
15 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
27 31 1 0 0 0 0
25 19 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
32 38 1 0 0 0 0
37 39 1 0 0 0 0
36 40 1 0 0 0 0
35 41 1 0 0 0 0
33 20 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
43 45 2 0 0 0 0
31 46 1 0 0 0 0
44 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 2 0 0 0 0
48 50 1 0 0 0 0
S SKP 8
ID FL7AACGL0046
KNApSAcK_ID C00006817
NAME Succinylcyanin
CAS_RN 89148-78-7
FORMULA C31H35O19
EXACTMASS 711.1772539379999
AVERAGEMASS 711.5982
SMILES c(c(O)5)(cc(cc5)c(c(OC(O4)C(O)C(C(C4COC(CCC(O)=O)=O)O)O)1)[o+1]c(c3)c(c(cc3O)OC(O2)C(C(O)C(O)C2CO)O)c1)O
M END
