Mol:FL7DACGO0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-0.9331 0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9331 -0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3768 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1795 -0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1795 0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3768 0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7358 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2921 -0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2921 0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7358 0.8382 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.8482 0.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4152 0.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9822 0.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9822 1.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4152 1.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8482 1.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5490 1.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4892 0.8380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3768 -1.0887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9725 -1.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4569 -2.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7144 -1.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9979 -1.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5185 -1.2319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2770 -1.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5490 -1.7014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2607 -2.0883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2889 -2.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4152 2.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5725 -0.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8581 -1.1094 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
14 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 19 1 0 0 0 0
15 29 1 0 0 0 0
25 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 ^CH2OH
M SBV 1 33 -5.2876 5.2225
S SKP 8
ID FL7DACGS0001
KNApSAcK_ID C00006623
NAME Luteolinidin 5-glucoside
CAS_RN 13089-93-5
FORMULA C21H21O10
EXACTMASS 433.113471892
AVERAGEMASS 433.38544
SMILES C(C1Oc(c4)c(c(cc(O)4)3)ccc([o+1]3)c(c2)cc(c(O)c2)O)(O)C(O)C(O)C(O1)CO
M END
