Mol:FL3FAAGS0061
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
-0.2928 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2928 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4217 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1362 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1362 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4217 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8506 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5651 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5651 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8506 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2796 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9941 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7085 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7085 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9941 1.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2796 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8506 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4217 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0072 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4548 1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3137 -0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1373 -0.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3046 0.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8604 0.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0368 0.9311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8693 0.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2748 0.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8134 -0.0641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5318 -1.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7058 -0.7219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8017 -0.0649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5779 0.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0715 -0.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3092 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4922 -0.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9985 0.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7609 0.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9813 0.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4070 1.1755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9555 -0.0524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4668 -0.1561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8720 -0.4522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4828 -0.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9764 -0.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2141 -0.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3971 -0.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9034 0.0847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6658 -0.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8862 0.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3119 0.6144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.8604 -0.6136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3717 -0.7173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7769 -1.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 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
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
7 17 2 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
14 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 20 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
32 40 1 0 0 0 0
33 41 1 0 0 0 0
34 42 1 0 0 0 0
43 44 1 1 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
43 51 1 0 0 0 0
44 52 1 0 0 0 0
45 53 1 0 0 0 0
46 40 1 0 0 0 0
19 35 1 0 0 0 0
S SKP 8
ID FL3FAAGS0061
KNApSAcK_ID C00013611
NAME Apigenin 7-cellobioside-4'-glucoside;5,7,4'-Trihydroxyflavone 7-cellobioside-4'-glucoside;7-[(4-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5-hydroxy-4H-1-benzopyran-4-one
CAS_RN 211096-98-9
FORMULA C33H40O20
EXACTMASS 756.21129372
AVERAGEMASS 756.6587
SMILES C(C1O)(O)C(C(CO)OC1OC(C(O)2)C(OC(Oc(c3)cc(O)c(C(=O)6)c3OC(=C6)c(c4)ccc(OC(O5)C(O)C(C(O)C(CO)5)O)c4)C2O)CO)O
M END
