Mol:FL1C2CNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.4227 0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4227 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8664 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3101 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3101 0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8664 0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7538 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1975 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3586 -0.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9147 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4757 -0.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0367 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0367 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4757 0.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9147 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7538 -1.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8664 -1.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0336 0.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6528 -0.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0336 0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6528 0.5613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5883 1.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8738 0.8374 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
3 17 1 0 0 0 0
1 18 1 0 0 0 0
12 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 13 1 0 0 0 0
6 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SBV 1 24 -5.7705 4.2081
S SKP 8
ID FL1C2CNS0002
KNApSAcK_ID C00007028
NAME Prosogerin B
CAS_RN 70981-47-4
FORMULA C17H14O6
EXACTMASS 314.07903818
AVERAGEMASS 314.28945999999996
SMILES COc(c1)c(O)cc(O)c1C(=O)C=Cc(c2)cc(O3)c(OC3)c2
M END
