Mol:FL5FACGA0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-1.2356 -4.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6151 -4.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1609 -4.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3272 -3.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9477 -3.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4019 -3.9262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1271 -3.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0392 -2.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6597 -2.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1140 -2.8515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6107 -3.3136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8259 -1.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3630 -1.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5324 -0.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1647 -0.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6277 -0.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4582 -1.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6896 -5.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6600 -2.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3919 -0.8198 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.0042 -1.4912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7497 -1.2781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4996 -1.4912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8874 -0.8198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.1419 -1.0328 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.6648 -1.0146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4439 -0.5096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8874 -0.0924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3342 0.1199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4593 -4.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2599 -0.8058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0830 -1.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0689 -2.8390 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
1 18 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
23 22 1 1 0 0 0
15 29 1 0 0 0 0
3 30 1 0 0 0 0
16 31 1 0 0 0 0
23 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 35
M SMT 1 CH2OH
M SVB 1 35 3.083 -1.8391
S SKP 8
ID FL5FACGA0001
KNApSAcK_ID C00005372
NAME Hyperin
CAS_RN 482-36-0
FORMULA C21H20O12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)[C@@H](C(O)1)O[C@H](CO)[C@H](O)C1O
M END
