Mol:FL7AAGGL0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-3.2200 0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2200 0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6636 -0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1073 0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1073 0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6636 1.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5510 -0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9947 0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9947 0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5510 1.1889 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
-0.4386 1.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1283 0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6953 1.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6953 1.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1283 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4386 1.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7760 1.1887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2621 2.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6636 -0.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5786 -0.4954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9242 -0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6560 -0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1718 -0.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6907 -0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9590 -0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4432 -0.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4260 -0.6526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5848 -0.1378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3662 -0.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2404 -0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1283 2.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6417 -1.6486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2158 -2.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2158 -2.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7760 -1.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2621 0.8615 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
21 22 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 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 20 1 0 0 0 0
24 30 1 0 0 0 0
15 31 1 0 0 0 0
30 32 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
13 36 1 0 0 0 0
S SKP 8
ID FL7AAGGL0015
KNApSAcK_ID C00006876
NAME Delphinidin 3-(6''-acetylglucoside)
CAS_RN 129031-46-5,122711-00-6,66594-00-1
FORMULA C23H23O13
EXACTMASS 507.113865822
AVERAGEMASS 507.42092
SMILES C(C(O1)C(C(C(O)C1Oc(c2)c(c(c4)cc(O)c(O)c(O)4)[o+1]c(c3)c(c(O)cc(O)3)2)O)O)OC(C)=O
M END
