Mol:FL2FACGS0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-0.8982 -0.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1856 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8950 -0.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1783 -1.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5344 -0.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5307 -0.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2507 -1.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9633 -0.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9596 -0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2434 0.3513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6134 0.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3295 -0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0423 0.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0392 1.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3231 1.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6102 1.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2517 -1.9419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5237 0.2904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1783 -2.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6951 1.5320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6730 -0.0357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2694 0.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8568 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0584 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2650 -0.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6775 0.4099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4759 0.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6228 0.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6951 0.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3087 -0.1661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6795 -0.7344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0609 1.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0609 1.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5903 2.0249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5235 2.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 6 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
1 18 1 0 0 0 0
4 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
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
28 32 1 0 0 0 0
25 18 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
S SKP 8
ID FL2FACGS0015
KNApSAcK_ID C00014336
NAME Coccinoside A;5,7,3',4'-Tetrahydroxyflavanone 7-(6-acetylglucoside)
CAS_RN 146555-76-2
FORMULA C23H24O12
EXACTMASS 492.126776232
AVERAGEMASS 492.42946
SMILES OC(C1O)C(Oc(c4)cc(c(c4O)2)OC(c(c3)ccc(c3O)O)CC2=O)OC(COC(C)=O)C1O
M END
