Mol:FL1DA9NC0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
3.1410 -3.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6144 -2.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5640 -2.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0403 -1.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5671 -2.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6174 -2.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0276 -1.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4664 -1.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3793 -0.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4701 0.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9845 0.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4988 0.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4988 1.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9845 1.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4701 1.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1913 -3.6473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0371 -1.8336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4499 -1.0680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1378 -2.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6108 -2.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1168 -2.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5741 -2.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5254 -2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0194 -1.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5621 -2.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1654 -3.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0434 -2.0080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1371 -1.5855 0.0000 C 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 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 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 10 1 0 0 0 0
1 16 1 0 0 0 0
3 17 1 0 0 0 0
7 18 2 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 20 1 0 0 0 0
21 26 1 0 0 0 0
5 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 29
M SMT 1 OCH3
M SVB 1 29 0.4696 0.9795
S SKP 8
ID FL1DA9NC0003
KNApSAcK_ID C00001012
NAME Uvaretin
CAS_RN 58449-06-2
FORMULA C23H22O5
EXACTMASS 378.146723814
AVERAGEMASS 378.41778000000005
SMILES O(C)c(c2C(=O)CCc(c3)cccc3)cc(c(c2O)Cc(c1)c(ccc1)O)O
M END
