Mol:FLID1CNI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6282 1.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6282 1.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6282 1.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6282 1.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0719 0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0719 0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5156 1.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5156 1.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5156 1.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5156 1.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0719 2.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0719 2.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0407 0.8677 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.0407 0.8677 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.5970 1.1889 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.5970 1.1889 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.5970 1.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5970 1.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0407 2.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0407 2.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1531 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1531 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1531 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1531 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7479 -0.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7479 -0.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3427 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3427 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3427 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3427 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7479 1.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7479 1.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0424 0.1812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0424 0.1812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2994 2.2187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2994 2.2187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1843 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1843 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1843 0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1843 0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7392 -0.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7392 -0.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7392 -0.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7392 -0.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2941 0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2941 0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7479 -0.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7479 -0.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3421 -1.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3421 -1.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3421 -1.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3421 -1.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7491 -2.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7491 -2.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9351 -2.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9351 -2.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3427 0.1810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3427 0.1810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3427 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3427 0.1810 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 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 |
| − | 13 24 1 0 0 0 0 | + | 13 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 14 29 1 0 0 0 0 | + | 14 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 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 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 32 2.5796 -0.0253 | + | M SVB 1 32 2.5796 -0.0253 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID1CNI0003 | + | ID FLID1CNI0003 |
| − | KNApSAcK_ID C00010012 | + | KNApSAcK_ID C00010012 |
| − | NAME Erycristin;(6aR,11aR)-3-Hydroxy-9-methoxy-2,10-diprenylpterocarpan | + | NAME Erycristin;(6aR,11aR)-3-Hydroxy-9-methoxy-2,10-diprenylpterocarpan |
| − | CAS_RN 114416-06-7 | + | CAS_RN 114416-06-7 |
| − | FORMULA C26H30O4 | + | FORMULA C26H30O4 |
| − | EXACTMASS 406.21440944799997 | + | EXACTMASS 406.21440944799997 |
| − | AVERAGEMASS 406.51399999999995 | + | AVERAGEMASS 406.51399999999995 |
| − | SMILES c(c1)c(C42)c(OC2c(c3)c(OC4)cc(c3CC=C(C)C)O)c(CC=C(C)C)c(OC)1 | + | SMILES c(c1)c(C42)c(OC2c(c3)c(OC4)cc(c3CC=C(C)C)O)c(CC=C(C)C)c(OC)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-1.6282 1.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6282 1.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0719 0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5156 1.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5156 1.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0719 2.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0407 0.8677 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5970 1.1889 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5970 1.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0407 2.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1531 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1531 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 -0.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3427 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3427 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 1.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0424 0.1812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2994 2.2187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1843 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1843 0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7392 -0.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7392 -0.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2941 0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 -0.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3421 -1.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3421 -1.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7491 -2.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9351 -2.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3427 0.1810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3427 0.1810 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
1 18 1 0 0 0 0
2 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
13 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
14 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 OCH3
M SVB 1 32 2.5796 -0.0253
S SKP 8
ID FLID1CNI0003
KNApSAcK_ID C00010012
NAME Erycristin;(6aR,11aR)-3-Hydroxy-9-methoxy-2,10-diprenylpterocarpan
CAS_RN 114416-06-7
FORMULA C26H30O4
EXACTMASS 406.21440944799997
AVERAGEMASS 406.51399999999995
SMILES c(c1)c(C42)c(OC2c(c3)c(OC4)cc(c3CC=C(C)C)O)c(CC=C(C)C)c(OC)1
M END
