Mol:FL3FACCS0008
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-1.6839 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6839 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1276 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5713 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5713 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1276 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0150 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5413 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5413 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0150 -0.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0150 -2.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2400 -0.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8822 2.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4878 1.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2309 0.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2240 0.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7607 0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0657 1.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1787 2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5226 2.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8663 0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1276 -2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1592 -0.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7455 -0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3317 -0.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3317 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7455 0.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1592 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9175 -0.9533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9175 0.4001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4724 0.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4724 1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9175 0.6439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6306 1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0839 1.1720 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
1 12 1 0 0 0 0
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
6 16 1 0 0 0 0
3 22 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
25 29 1 0 0 0 0
23 9 1 0 0 0 0
26 30 1 0 0 0 0
21 31 1 0 0 0 0
31 32 1 0 0 0 0
31 33 2 0 0 0 0
18 34 1 0 0 0 0
34 35 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 34 35
M SBL 1 1 37
M SMT 1 CH2OH
M SBV 1 37 -6.6484 5.6057
S SKP 8
ID FL3FACCS0008
KNApSAcK_ID C00006140
NAME Orientin 2''-acetate
CAS_RN 71880-89-2
FORMULA C23H22O12
EXACTMASS 490.111126168
AVERAGEMASS 490.41358
SMILES Oc(c42)cc(O)c(c(OC(=CC(=O)4)c(c3)ccc(c3O)O)2)C(C(OC(C)=O)1)OC(C(C(O)1)O)CO
M END
</pre>
