Mol:FL7ACIGL0002
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
47 51 0 0 0 0 0 0 0 0999 V2000
-1.6016 1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6016 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8871 0.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1727 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1727 1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8871 1.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5418 0.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2563 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2563 1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5418 1.6588 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
-2.2205 1.6036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9223 1.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6367 1.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3512 1.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3512 2.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6367 2.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9223 2.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9853 2.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8871 -0.8162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9098 0.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0094 1.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6367 3.5894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2681 3.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6562 1.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8544 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8433 -2.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6685 -2.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8774 -1.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4639 -0.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6387 -0.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4298 -1.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8422 -1.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3655 -1.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0278 -2.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2229 -2.4215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3512 -1.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1226 -2.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2974 -3.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9465 -2.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3585 -3.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1823 -3.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5948 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4198 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8323 -3.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4198 -3.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5948 -3.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6562 -3.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 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 1 1 0 0 0 0
4 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
1 11 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
15 18 1 0 0 0 0
3 19 1 0 0 0 0
12 9 1 0 0 0 0
8 20 1 0 0 0 0
14 21 1 0 0 0 0
16 22 1 0 0 0 0
22 23 1 0 0 0 0
21 24 1 0 0 0 0
11 25 1 0 0 0 0
26 27 1 1 0 0 0
27 28 1 1 0 0 0
29 28 1 1 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 26 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
26 34 1 0 0 0 0
27 35 1 0 0 0 0
28 36 1 0 0 0 0
29 20 1 0 0 0 0
37 38 2 0 0 0 0
37 39 1 0 0 0 0
39 40 2 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
42 43 1 0 0 0 0
43 44 2 0 0 0 0
44 45 1 0 0 0 0
45 46 2 0 0 0 0
46 41 1 0 0 0 0
44 47 1 0 0 0 0
33 37 1 0 0 0 0
S SKP 8
ID FL7ACIGL0002
KNApSAcK_ID C00014875
NAME Hirsutidin 3-O-(6-O-p-coumaroyl)glucoside
CAS_RN 623571-84-6
FORMULA C33H33O14
EXACTMASS 653.187030764
AVERAGEMASS 653.60672
SMILES Oc(c(OC)5)c(OC)cc(c5)c(c(OC(O3)C(O)C(O)C(O)C(COC(C=Cc(c4)ccc(c4)O)=O)3)2)[o+1]c(c1c2)cc(cc1O)OC
M END
</pre>
