Mol:FLIFHXNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 35 0 0 0 0 0 0 0 0999 V2000 | + | 31 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5324 0.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5324 0.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5324 -0.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5324 -0.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0666 -0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0666 -0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6008 -0.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6008 -0.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6008 0.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6008 0.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0666 0.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0666 0.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1350 -0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1350 -0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3307 -0.1015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.3307 -0.1015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 0.3307 0.4364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.3307 0.4364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.1350 0.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1350 0.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7965 -0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7965 -0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2623 -0.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2623 -0.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7965 -0.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7965 -0.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2623 -1.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2623 -1.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7281 -0.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7281 -0.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7281 -0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7281 -0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3307 -0.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3307 -0.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0666 1.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0666 1.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5126 1.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5126 1.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9586 1.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9586 1.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9586 0.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9586 0.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2494 1.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2494 1.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5509 1.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5509 1.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2623 0.4364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2623 0.4364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7965 0.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7965 0.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3307 1.2237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3307 1.2237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1350 -0.8630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1350 -0.8630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7281 -0.9082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7281 -0.9082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7281 -0.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7281 -0.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8826 -1.5024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8826 -1.5024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7045 -1.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7045 -1.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 |
| − | 11 13 1 0 0 0 0 | + | 11 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 12 1 0 0 0 0 | + | 16 12 1 0 0 0 0 |
| − | 8 17 1 1 0 0 0 | + | 8 17 1 1 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 1 1 0 0 0 0 | + | 21 1 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 12 24 1 0 0 0 0 | + | 12 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 9 1 0 0 0 0 | + | 25 9 1 0 0 0 0 |
| − | 9 26 1 1 0 0 0 | + | 9 26 1 1 0 0 0 |
| − | 7 27 2 0 0 0 0 | + | 7 27 2 0 0 0 0 |
| − | 15 28 1 0 0 0 0 | + | 15 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 14 30 1 0 0 0 0 | + | 14 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 30 31 | + | M SAL 2 2 30 31 |
| − | M SBL 2 1 34 | + | M SBL 2 1 34 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 34 0.7806 -1.3116 | + | M SVB 2 34 0.7806 -1.3116 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 28 29 | + | M SAL 1 2 28 29 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 32 1.8364 -1.1145 | + | M SVB 1 32 1.8364 -1.1145 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIFHXNP0001 | + | ID FLIFHXNP0001 |
| − | KNApSAcK_ID C00002578 | + | KNApSAcK_ID C00002578 |
| − | NAME Tephrosin | + | NAME Tephrosin |
| − | CAS_RN 76-80-2 | + | CAS_RN 76-80-2 |
| − | FORMULA C23H22O7 | + | FORMULA C23H22O7 |
| − | EXACTMASS 410.136553058 | + | EXACTMASS 410.136553058 |
| − | AVERAGEMASS 410.41658000000007 | + | AVERAGEMASS 410.41658000000007 |
| − | SMILES c(c21)([C@](O)(C3=O)[C@](Oc(c54)c(ccc4OC(C=C5)(C)C)3)(CO2)[H])cc(c(OC)c1)OC | + | SMILES c(c21)([C@](O)(C3=O)[C@](Oc(c54)c(ccc4OC(C=C5)(C)C)3)(CO2)[H])cc(c(OC)c1)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 35 0 0 0 0 0 0 0 0999 V2000
-1.5324 0.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5324 -0.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0666 -0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6008 -0.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6008 0.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0666 0.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1350 -0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3307 -0.1015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.3307 0.4364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.1350 0.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7965 -0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2623 -0.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7965 -0.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2623 -1.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7281 -0.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7281 -0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3307 -0.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0666 1.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5126 1.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9586 1.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9586 0.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2494 1.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5509 1.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2623 0.4364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7965 0.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3307 1.2237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1350 -0.8630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7281 -0.9082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7281 -0.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8826 -1.5024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7045 -1.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 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
11 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 12 1 0 0 0 0
8 17 1 1 0 0 0
6 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 1 1 0 0 0 0
20 22 1 0 0 0 0
20 23 1 0 0 0 0
12 24 1 0 0 0 0
24 25 1 0 0 0 0
25 9 1 0 0 0 0
9 26 1 1 0 0 0
7 27 2 0 0 0 0
15 28 1 0 0 0 0
28 29 1 0 0 0 0
14 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 30 31
M SBL 2 1 34
M SMT 2 OCH3
M SVB 2 34 0.7806 -1.3116
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 28 29
M SBL 1 1 32
M SMT 1 OCH3
M SVB 1 32 1.8364 -1.1145
S SKP 8
ID FLIFHXNP0001
KNApSAcK_ID C00002578
NAME Tephrosin
CAS_RN 76-80-2
FORMULA C23H22O7
EXACTMASS 410.136553058
AVERAGEMASS 410.41658000000007
SMILES c(c21)([C@](O)(C3=O)[C@](Oc(c54)c(ccc4OC(C=C5)(C)C)3)(CO2)[H])cc(c(OC)c1)OC
M END
