Mol:FL5FAAGS0095
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
54 59 0 0 0 0 0 0 0 0999 V2000
-0.1690 3.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1690 2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5454 1.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2599 2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2599 3.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5454 3.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8835 1.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5980 2.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3124 1.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3124 1.0760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5980 0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8835 1.0760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0269 2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7414 1.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7414 1.0760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0269 0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5980 -0.0547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4559 2.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2772 0.7260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8606 3.4853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0269 -0.0360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1191 3.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4210 2.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2285 2.6889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8369 2.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5351 2.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7276 2.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5173 3.2747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3242 2.9255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7567 1.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3966 2.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4177 1.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8982 -1.3964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0883 -1.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7229 -0.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0316 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8415 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2070 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7521 -0.6805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2757 -0.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8501 -2.0778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5779 -1.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3522 -1.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3792 -2.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5693 -3.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2039 -2.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5126 -1.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3225 -1.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6880 -2.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2331 -2.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7567 -2.3344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3311 -3.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0589 -3.1954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8332 -2.8357 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
25 31 1 0 0 0 0
31 32 1 0 0 0 0
23 20 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
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 40 1 0 0 0 0
36 19 1 0 0 0 0
S SKP 8
ID FL5FAAGS0095
KNApSAcK_ID C00013762
NAME Kaempferol 3-gentiobioside-4'-glucoside;3-[(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one
CAS_RN 288626-57-3
FORMULA C33H40O21
EXACTMASS 772.206208342
AVERAGEMASS 772.6581
SMILES c(c1C(O3)=C(OC(O5)C(O)C(O)C(O)C5COC(O6)C(C(O)C(C(CO)6)O)O)C(c(c4O)c3cc(c4)O)=O)cc(OC(O2)C(C(C(O)C2CO)O)O)cc1
M END
