Mol:FLIDHXNI0007
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4612 1.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4612 1.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4612 1.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4612 1.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9049 0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9049 0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3486 1.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3486 1.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3486 1.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3486 1.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9049 2.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9049 2.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7923 0.7521 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.7923 0.7521 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.2359 1.0732 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.2359 1.0732 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.2359 1.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2359 1.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7923 2.0368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7923 2.0368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3201 0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3201 0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3201 0.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3201 0.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9149 -0.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9149 -0.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5097 0.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5097 0.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5097 0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5097 0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9149 1.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9149 1.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7905 0.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7905 0.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3201 1.3943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3201 1.3943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9149 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9149 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5091 -1.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5091 -1.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5091 -1.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5091 -1.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9161 -2.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9161 -2.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1021 -2.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1021 -2.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3757 -0.4346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3757 -0.4346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2418 -0.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2418 -0.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1039 1.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1039 1.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8184 0.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8184 0.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8184 2.3343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8184 2.3343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3184 3.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3184 3.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 15 26 1 0 0 0 0 | + | 15 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 1 28 1 0 0 0 0 | + | 1 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 28 29 | + | M SAL 3 2 28 29 |
| − | M SBL 3 1 31 | + | M SBL 3 1 31 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 31 -2.8184 2.3343 | + | M SVB 3 31 -2.8184 2.3343 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 26 27 | + | M SAL 2 2 26 27 |
| − | M SBL 2 1 29 | + | M SBL 2 1 29 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 29 2.1039 1.0952 | + | M SVB 2 29 2.1039 1.0952 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 1.7467 -0.1409 | + | M SVB 1 27 1.7467 -0.1409 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDHXNI0007 | + | ID FLIDHXNI0007 |
| − | KNApSAcK_ID C00010020 | + | KNApSAcK_ID C00010020 |
| − | NAME Sphenostylin A;(6aS,11aS)-6a-Hydroxy-3,8,9-trimethoxy-10-prenylpterocarpan | + | NAME Sphenostylin A;(6aS,11aS)-6a-Hydroxy-3,8,9-trimethoxy-10-prenylpterocarpan |
| − | CAS_RN 115610-53-2 | + | CAS_RN 115610-53-2 |
| − | FORMULA C23H26O6 | + | FORMULA C23H26O6 |
| − | EXACTMASS 398.172938564 | + | EXACTMASS 398.172938564 |
| − | AVERAGEMASS 398.44894 | + | AVERAGEMASS 398.44894 |
| − | SMILES c(c1)(O4)c(C(O2)C(C4)(O)c(c3)c(c(CC=C(C)C)c(OC)c3OC)2)ccc1OC | + | SMILES c(c1)(O4)c(C(O2)C(C4)(O)c(c3)c(c(CC=C(C)C)c(OC)c3OC)2)ccc1OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
-2.4612 1.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4612 1.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9049 0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3486 1.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3486 1.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9049 2.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7923 0.7521 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.2359 1.0732 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.2359 1.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7923 2.0368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3201 0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3201 0.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9149 -0.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5097 0.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5097 0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9149 1.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7905 0.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3201 1.3943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9149 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5091 -1.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5091 -1.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9161 -2.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1021 -2.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3757 -0.4346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2418 -0.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1039 1.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8184 0.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8184 2.3343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3184 3.2003 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
13 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
15 26 1 0 0 0 0
26 27 1 0 0 0 0
1 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 28 29
M SBL 3 1 31
M SMT 3 OCH3
M SVB 3 31 -2.8184 2.3343
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 29
M SMT 2 OCH3
M SVB 2 29 2.1039 1.0952
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 1.7467 -0.1409
S SKP 8
ID FLIDHXNI0007
KNApSAcK_ID C00010020
NAME Sphenostylin A;(6aS,11aS)-6a-Hydroxy-3,8,9-trimethoxy-10-prenylpterocarpan
CAS_RN 115610-53-2
FORMULA C23H26O6
EXACTMASS 398.172938564
AVERAGEMASS 398.44894
SMILES c(c1)(O4)c(C(O2)C(C4)(O)c(c3)c(c(CC=C(C)C)c(OC)c3OC)2)ccc1OC
M END
