Mol:FLIDHXNI0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1515 1.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1515 1.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1515 1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1515 1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5952 0.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5952 0.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0389 1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0389 1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0389 1.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0389 1.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5952 2.1674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5952 2.1674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4826 0.8827 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.4826 0.8827 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0737 1.2038 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.0737 1.2038 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0737 1.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0737 1.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4826 2.1674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4826 2.1674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6298 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6298 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6298 0.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6298 0.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2246 -0.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2246 -0.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8194 0.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8194 0.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8194 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8194 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2246 1.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2246 1.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4809 0.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4809 0.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6298 1.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6298 1.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7708 2.2037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7708 2.2037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4136 1.2258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4136 1.2258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2246 -0.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2246 -0.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8188 -1.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8188 -1.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8188 -1.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8188 -1.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2258 -2.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2258 -2.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4118 -2.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4118 -2.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8194 0.1960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8194 0.1960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8194 0.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8194 0.1960 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 2 0 0 0 0 | + | 22 23 2 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 |
| − | 14 26 1 0 0 0 0 | + | 14 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 29 | + | M SBL 1 1 29 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 29 2.0563 -0.0103 | + | M SVB 1 29 2.0563 -0.0103 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDHXNI0006 | + | ID FLIDHXNI0006 |
| − | KNApSAcK_ID C00010019 | + | KNApSAcK_ID C00010019 |
| − | NAME Sphenostylin B;(6aS,11aS)-3,6a,8-Trihydroxy-9-methoxy-10-prenylpterocarpan | + | NAME Sphenostylin B;(6aS,11aS)-3,6a,8-Trihydroxy-9-methoxy-10-prenylpterocarpan |
| − | CAS_RN 115610-55-4 | + | CAS_RN 115610-55-4 |
| − | FORMULA C21H22O6 | + | FORMULA C21H22O6 |
| − | EXACTMASS 370.141638436 | + | EXACTMASS 370.141638436 |
| − | AVERAGEMASS 370.39578 | + | AVERAGEMASS 370.39578 |
| − | SMILES c(c43)(ccc(O)c4)C(C(CO3)(O)1)Oc(c(CC=C(C)C)2)c(cc(c(OC)2)O)1 | + | SMILES c(c43)(ccc(O)c4)C(C(CO3)(O)1)Oc(c(CC=C(C)C)2)c(cc(c(OC)2)O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-2.1515 1.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1515 1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5952 0.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0389 1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0389 1.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5952 2.1674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4826 0.8827 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0737 1.2038 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0737 1.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4826 2.1674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6298 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6298 0.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2246 -0.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8194 0.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8194 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2246 1.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4809 0.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6298 1.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7708 2.2037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4136 1.2258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2246 -0.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8188 -1.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8188 -1.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2258 -2.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4118 -2.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8194 0.1960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8194 0.1960 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 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
14 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 29
M SMT 1 OCH3
M SVB 1 29 2.0563 -0.0103
S SKP 8
ID FLIDHXNI0006
KNApSAcK_ID C00010019
NAME Sphenostylin B;(6aS,11aS)-3,6a,8-Trihydroxy-9-methoxy-10-prenylpterocarpan
CAS_RN 115610-55-4
FORMULA C21H22O6
EXACTMASS 370.141638436
AVERAGEMASS 370.39578
SMILES c(c43)(ccc(O)c4)C(C(CO3)(O)1)Oc(c(CC=C(C)C)2)c(cc(c(OC)2)O)1
M END
