Mol:FL3FACGS0067
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 45 0 0 0 0 0 0 0 0999 V2000
1.0702 -0.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0702 -0.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5213 -1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9723 -0.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9723 -0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5213 -0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4234 -1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8745 -0.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8745 -0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4234 -0.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5951 -1.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3254 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7851 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2448 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2448 0.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7851 0.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3254 0.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5213 -1.7031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6089 -0.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7044 0.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7851 1.1853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0194 -0.2269 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5037 -0.9075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.7612 -0.6188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.0448 -0.6111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5654 -0.0903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2150 -0.4332 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.4831 0.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7332 -0.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3075 -0.9467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3358 -1.3330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4831 0.8456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0530 1.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0530 1.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5383 0.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0539 1.1756 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.6041 0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4702 1.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4702 2.3579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0539 0.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1952 1.7031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3362 0.8578 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 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
19 1 1 0 0 0 0
15 20 1 0 0 0 0
16 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
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
32 28 1 0 0 0 0
25 19 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
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
36 40 1 0 0 0 0
36 41 1 0 0 0 0
38 42 2 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 38 42 39
M SBL 1 1 41
M SMT 1 COOH
M SVB 1 41 -4.1543 1.1755
S SKP 8
ID FL3FACGS0067
KNApSAcK_ID C00004504
NAME Luteolin 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside];7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one
CAS_RN 151750-81-1
FORMULA C27H28O15
EXACTMASS 592.1428202259999
AVERAGEMASS 592.5022200000001
SMILES c(c3)(c(c(O)cc3O[C@@H]([C@@H](O)4)OC([C@H](O)[C@H](O)4)COC(=O)CC(CC(O)=O)(C)O)2)OC(=CC(=O)2)c(c1)cc(c(c1)O)O
M END
