Mol:FL1CA9NM0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
-1.9517 0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9517 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3953 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8390 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8390 0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3953 0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2827 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2736 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8297 -0.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9467 -0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5077 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5077 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9467 0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2827 -1.1782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3953 1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5077 0.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2830 0.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8318 -0.8374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1173 -1.2499 0.0000 C 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 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
7 16 2 0 0 0 0
6 17 1 0 0 0 0
1 18 1 0 0 0 0
5 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 21
M SMT 1 OCH3
M SBV 1 21 -6.0139 3.4055
S SKP 8
ID FL1CA9NM0003
KNApSAcK_ID C00007042
NAME Stercurensin
CAS_RN 94388-75-7
FORMULA C17H16O4
EXACTMASS 284.104859
AVERAGEMASS 284.30654
SMILES COc(c1)c(C(=O)C=Cc(c2)cccc2)c(O)c(C)c(O)1
M END
