Mol:FL7ADINS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-2.1431 0.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4293 -0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8583 -0.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4307 -1.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7141 0.2235 0.0000 O 0 3 0 0 0 3 0 0 0 0 0 0
-2.8597 -1.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5727 0.2272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1459 -1.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7170 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0004 -0.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1473 -2.2491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0018 -1.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7149 0.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7121 -1.4291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4286 -0.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7163 1.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1438 0.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4048 1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1453 1.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8605 1.4548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7170 -2.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4315 -2.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4048 2.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8583 -0.1940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5727 0.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6904 2.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 3 2 0
2 4 2 0
2 5 1 0
3 6 1 0
3 7 1 0
4 8 1 0
4 9 1 0
5 10 2 0
6 8 2 0
8 11 1 0
9 12 2 0
10 12 1 0
10 13 1 0
12 14 1 0
13 15 2 0
13 16 1 0
15 17 1 0
16 18 2 0
17 19 2 0
18 19 1 0
19 20 1 0
9 21 1 0
21 22 2 0
22 11 1 0
18 23 1 0
17 24 1 0
24 25 1 0
23 26 1 0
M CHG 1 5 1
S SKP 9
AUTODRAW FALSE
ID FL7ADINS0002
KNApSAcK_ID
NAME Vitisidin B
CAS_RN 300817-32-7
FORMULA C19H15O7
EXACTMASS 355.081777834
AVERAGEMASS 355.31820000000005
SMILES COc(c1)c(O)c(OC)cc1c([o+1]2)c(O)c(C=4)c(c(OC4)3)c(cc(O)c3)2
M END
