Mol:FLIDHXNI0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
28 31 0 0 0 0 0 0 0 0999 V2000
-2.1515 2.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1515 1.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5952 1.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0389 1.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0389 2.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5952 2.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4826 1.1058 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0737 1.4270 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0737 2.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4826 2.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6298 1.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6298 0.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2246 0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8194 0.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8194 1.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2246 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4809 0.4194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6298 1.7481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7708 2.4269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4136 1.4490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2246 -0.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8188 -0.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8188 -1.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2258 -1.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4118 -1.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8188 -2.4269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8194 0.4192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8194 0.4192 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
7 17 1 0 0 0 0
12 17 1 0 0 0 0
8 18 1 0 0 0 0
19 1 1 0 0 0 0
15 20 1 0 0 0 0
13 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 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
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 30
M SMT 1 OCH3
M SVB 1 30 2.0563 0.2129
S SKP 8
ID FLIDHXNI0008
KNApSAcK_ID C00010021
NAME Sphenostylin C;(6aS,11aS)-3,6a,8-Trihydroxy-9-methoxy-10-(3-hydroxy-3-methylbutyl)pterocarpan
CAS_RN 115610-57-6
FORMULA C21H24O7
EXACTMASS 388.152203122
AVERAGEMASS 388.41106
SMILES c(c1)(c(OC)c(CCC(C)(C)O)c(O2)c1C(C4)(O)C(c(c3O4)ccc(O)c3)2)O
M END
