Mol:FL4DAANI0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
40 42 0 0 0 0 0 0 0 0999 V2000
-6.7740 0.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0539 1.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7828 0.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0700 -0.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3544 0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3431 0.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6413 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9232 -0.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9164 0.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6230 1.2373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1781 1.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1692 2.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4500 2.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7417 2.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7481 1.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4680 0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6562 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0700 -1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4823 1.2698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1621 2.3816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2347 -0.4034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2347 -1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9492 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5203 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8058 -1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0913 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3769 -1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3376 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0521 -1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7665 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4810 -1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1955 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9100 -1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6244 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3389 -1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7665 -2.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0534 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0534 -2.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4823 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7678 -1.2284 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 6 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
4 18 1 0 0 0 0
1 19 1 0 0 0 0
14 20 1 0 0 0 0
8 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
30 36 1 0 0 0 0
35 37 1 0 0 0 0
37 38 1 0 0 0 0
37 40 1 0 0 0 0
39 40 1 0 0 0 0
S SKP 8
ID FL4DAANI0010
KNApSAcK_ID C00014405
NAME Muscanone;5,7,4'-Trihydroxy-3-O-(1,8,14-trimethylhexadecanyl)flavanone
CAS_RN 556014-15-4
FORMULA C34H50O6
EXACTMASS 554.360739332
AVERAGEMASS 554.7572
SMILES c(O)(c1)ccc(C(O3)C(OC(CCCCCCC(CCCCCC(C)CC)C)C)C(=O)c(c32)c(cc(c2)O)O)c1
M END
