Mol:FL1BBANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.0145 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0145 0.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5337 0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0529 0.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0529 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5337 -0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4443 -0.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0919 0.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4443 0.7662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5721 0.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3282 -0.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3733 0.7464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2249 -0.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8257 -0.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1169 -0.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6993 -0.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9905 -0.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6993 0.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1169 0.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5721 -0.2674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9886 -0.4682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2741 -0.8807 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
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
4 10 1 0 0 0 0
7 11 2 0 0 0 0
8 12 1 0 0 0 0
8 13 1 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SBV 1 23 -10.2102 5.5034
S SKP 8
ID FL1BBANS0001
KNApSAcK_ID C00008067
NAME Carpusin
CAS_RN 87582-99-8
FORMULA C16H14O6
EXACTMASS 302.07903818
AVERAGEMASS 302.27876000000003
SMILES COc(c3)c(c(cc(O)3)1)C(=O)C(O)(Cc(c2)ccc(O)c2)O1
M END
