Mol:FLIDHXNI0001
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 |
| − | -1.5404 1.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5404 1.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5404 1.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5404 1.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0399 0.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0399 0.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5395 1.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5395 1.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5395 1.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5395 1.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0399 2.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0399 2.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0390 0.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0390 0.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4614 1.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4614 1.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4614 1.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4614 1.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0390 2.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0390 2.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0811 0.3723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0811 0.3723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6558 0.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6558 0.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8909 0.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8909 0.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9955 -0.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9955 -0.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5702 -0.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5702 -0.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8052 0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8052 0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4656 0.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4656 0.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9835 2.1428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9835 2.1428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5008 0.4759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5008 0.4759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9834 1.3664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9834 1.3664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7606 -0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7606 -0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1000 -1.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1000 -1.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8657 -1.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8657 -1.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2043 -2.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2043 -2.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2927 -1.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2927 -1.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9835 -0.9174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9835 -0.9174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1866 -0.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1866 -0.7039 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 |
| − | 7 11 1 0 0 0 0 | + | 7 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 8 1 0 0 0 0 | + | 13 8 1 0 0 0 0 |
| − | 12 14 1 0 0 0 0 | + | 12 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 13 1 0 0 0 0 | + | 17 13 1 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 7 19 1 6 0 0 0 | + | 7 19 1 6 0 0 0 |
| − | 8 20 1 6 0 0 0 | + | 8 20 1 6 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 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 |
| − | 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 |
| − | 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 SBV 1 29 -6.6813 5.7053 | + | M SBV 1 29 -6.6813 5.7053 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDHXNI0001 | + | ID FLIDHXNI0001 |
| − | KNApSAcK_ID C00002515 | + | KNApSAcK_ID C00002515 |
| − | NAME Cristacarpin;Erythrabyssin I | + | NAME Cristacarpin;Erythrabyssin I |
| − | CAS_RN 74515-47-2 | + | CAS_RN 74515-47-2 |
| − | FORMULA C21H22O5 | + | FORMULA C21H22O5 |
| − | EXACTMASS 354.146723814 | + | EXACTMASS 354.146723814 |
| − | AVERAGEMASS 354.39638 | + | AVERAGEMASS 354.39638 |
| − | SMILES C(O2)(c34)([H])C(COc(cc(O)cc4)3)(O)c(c21)ccc(OC)c(CC=C(C)C)1 | + | SMILES C(O2)(c34)([H])C(COc(cc(O)cc4)3)(O)c(c21)ccc(OC)c(CC=C(C)C)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
-1.5404 1.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5404 1.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0399 0.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5395 1.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5395 1.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0399 2.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0390 0.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4614 1.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4614 1.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0390 2.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0811 0.3723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6558 0.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8909 0.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9955 -0.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5702 -0.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8052 0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4656 0.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9835 2.1428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5008 0.4759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9834 1.3664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7606 -0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1000 -1.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8657 -1.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2043 -2.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2927 -1.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9835 -0.9174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1866 -0.7039 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
7 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 8 1 0 0 0 0
12 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 13 1 0 0 0 0
18 1 1 0 0 0 0
7 19 1 6 0 0 0
8 20 1 6 0 0 0
14 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
15 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 SBV 1 29 -6.6813 5.7053
S SKP 8
ID FLIDHXNI0001
KNApSAcK_ID C00002515
NAME Cristacarpin;Erythrabyssin I
CAS_RN 74515-47-2
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES C(O2)(c34)([H])C(COc(cc(O)cc4)3)(O)c(c21)ccc(OC)c(CC=C(C)C)1
M END
