Mol:FLIDHXNI0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 31 0 0 0 0 0 0 0 0999 V2000 | + | 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 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 | + | -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 | + | -1.5952 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 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 | + | -1.0389 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 | + | -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 | + | -0.4826 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 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 | + | 0.0737 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 | + | -0.4826 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 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 | + | 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 | + | 1.2246 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 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 | + | 1.8194 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 | + | 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 | + | -0.4809 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 | + | 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 | + | -2.7708 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 | + | 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 | + | 1.2246 -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 -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 | + | 1.8188 -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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 |
| − | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 14 27 1 0 0 0 0 | + | 14 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 30 | + | M SBL 1 1 30 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 30 2.0563 0.2129 | + | M SVB 1 30 2.0563 0.2129 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDHXNI0008 | + | ID FLIDHXNI0008 |
| − | KNApSAcK_ID C00010021 | + | KNApSAcK_ID C00010021 |
| − | NAME Sphenostylin C;(6aS,11aS)-3,6a,8-Trihydroxy-9-methoxy-10-(3-hydroxy-3-methylbutyl)pterocarpan | + | NAME Sphenostylin C;(6aS,11aS)-3,6a,8-Trihydroxy-9-methoxy-10-(3-hydroxy-3-methylbutyl)pterocarpan |
| − | CAS_RN 115610-57-6 | + | CAS_RN 115610-57-6 |
| − | FORMULA C21H24O7 | + | FORMULA C21H24O7 |
| − | EXACTMASS 388.152203122 | + | EXACTMASS 388.152203122 |
| − | AVERAGEMASS 388.41106 | + | 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 | + | 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 | M END | ||
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Latest revision as of 09:00, 14 March 2009
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
