Mol:FLIFHXNP0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 36 0 0 0 0 0 0 0 0999 V2000
-2.8269 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2065 -0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7522 -0.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9185 0.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5389 0.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9931 0.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4643 1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6305 1.6812 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.2509 1.8474 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.7052 1.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1764 2.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5130 1.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0274 2.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2052 3.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8686 3.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3542 2.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4172 2.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8440 0.8945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9514 2.9653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0144 1.5161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6137 0.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0678 0.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9016 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2811 -0.7562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7302 -1.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6645 -0.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0537 4.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3125 5.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4796 -1.1346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8963 -0.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0302 1.9956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6136 2.5790 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
9 17 1 0 0 0 0
7 18 2 0 0 0 0
16 19 1 0 0 0 0
19 17 1 0 0 0 0
8 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 1 1 0 0 0 0
23 25 1 0 0 0 0
23 26 1 0 0 0 0
14 27 1 0 0 0 0
27 28 1 0 0 0 0
2 29 1 0 0 0 0
29 30 1 0 0 0 0
13 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 31 32
M SBL 3 1 35
M SMT 3 OCH3
M SVB 3 35 1.0624 -1.753
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 29 30
M SBL 2 1 33
M SMT 2 OCH3
M SVB 2 33 -2.6107 -0.1388
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 31
M SMT 1 OCH3
M SVB 1 31 2.3116 -1.4444
S SKP 8
ID FLIFHXNP0004
KNApSAcK_ID C00009985
NAME (+)-12a-Hydroxyerythynone
CAS_RN 128718-49-0
FORMULA C24H24O8
EXACTMASS 440.14711774399996
AVERAGEMASS 440.44256
SMILES O(c(c2)c(O1)c(c(O3)c2C(=O)C(c54)(C3COc4cc(OC)c(OC)c5)O)C=CC1(C)C)C
M END
