Mol:FL3FACGS0080
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
54 59 0 0 0 0 0 0 0 0999 V2000
0.6005 0.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6005 -0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3150 -0.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0294 -0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0294 0.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3150 1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7439 -0.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4584 -0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4584 0.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7439 1.2023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1728 1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8873 0.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6018 1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6018 2.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8873 2.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1728 2.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7439 -1.2727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1191 1.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3150 -1.3055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2247 2.3870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3076 0.7949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5268 1.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1142 0.4356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3158 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5224 0.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9349 1.1327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7333 0.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8903 1.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3701 1.7864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0100 0.6671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5628 0.6946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4873 0.0048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2929 0.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8802 -0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0819 -0.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2884 -0.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7010 -0.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4994 -0.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6563 0.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1362 0.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7761 -0.4718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3289 -0.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2534 -1.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8244 -1.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4117 -2.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6134 -1.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8199 -2.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2325 -1.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0309 -1.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1878 -0.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6677 -0.6582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3076 -1.7776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8604 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7849 -2.4398 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
18 1 1 0 0 0 0
3 19 1 0 0 0 0
14 20 1 0 0 0 0
13 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
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
33 41 1 0 0 0 0
34 42 1 0 0 0 0
35 43 1 0 0 0 0
36 32 1 0 0 0 0
25 18 1 0 0 0 0
44 45 1 1 0 0 0
45 46 1 1 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 44 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
44 52 1 0 0 0 0
45 53 1 0 0 0 0
46 54 1 0 0 0 0
47 43 1 0 0 0 0
S SKP 8
ID FL3FACGS0080
KNApSAcK_ID C00013665
NAME Luteolin 7-sophorotrioside;Luteolin 7-O-(beta-D-glucopyranosyl-2-glucopyranoside);7-[(O-beta-D-Glucopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one
CAS_RN 205326-77-8
FORMULA C33H40O21
EXACTMASS 772.206208342
AVERAGEMASS 772.6581
SMILES OC(C(CO)6)C(O)C(O)C(O6)OC(C(OC(C2Oc(c3)cc(c(C(=O)4)c3OC(c(c5)ccc(c(O)5)O)=C4)O)C(C(C(O2)CO)O)O)1)C(O)C(C(CO)O1)O
M END
