Mol:FL4DACGI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
38 41 0 0 0 0 0 0 0 0999 V2000
-0.9978 0.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2777 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0066 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2938 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4218 -0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4331 0.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1349 -0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8530 -0.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8598 0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1531 1.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 1.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6070 2.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3262 2.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0345 2.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0281 1.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3082 0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1200 -1.2569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7061 1.2504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5414 -0.4228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2938 -1.1636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7679 2.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2847 1.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8721 0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0737 0.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2803 0.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6928 1.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4912 1.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6482 1.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1281 1.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7679 0.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3208 0.9006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2452 0.2107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6819 0.8271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6103 -0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6103 -1.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4002 -1.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4002 -2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0389 -1.2195 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
8 19 1 0 0 0 0
4 20 1 0 0 0 0
14 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
25 18 1 0 0 0 0
15 33 1 0 0 0 0
3 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
36 38 1 0 0 0 0
S SKP 8
ID FL4DACGI0001
KNApSAcK_ID C00014417
NAME 3,5,7,3',4'-Pentahydroxy-6-prenylflavanone 7-glucoside
CAS_RN 340997-06-0
FORMULA C26H30O12
EXACTMASS 534.173726424
AVERAGEMASS 534.5092
SMILES c(c1O)(O)ccc(C(C(O)4)Oc(c2)c(C(=O)4)c(c(c2OC(O3)C(C(C(O)C(CO)3)O)O)CC=C(C)C)O)c1
M END
