Mol:FLIA2CNP0001
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 32 0 0 0 0 0 0 0 0999 V2000 | + | 28 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5725 0.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5725 0.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5725 0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5725 0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0162 -0.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0162 -0.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4599 0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4599 0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4599 0.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4599 0.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0162 1.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0162 1.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0964 -0.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0964 -0.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6527 0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6527 0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6527 0.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6527 0.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0964 1.0204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0964 1.0204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2088 -0.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2088 -0.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2088 -0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2088 -0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8036 -1.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8036 -1.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3984 -0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3984 -0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3984 -0.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3984 -0.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8036 0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8036 0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0964 -0.9065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0964 -0.9065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0162 1.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0162 1.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5725 1.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5725 1.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1288 1.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1288 1.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1288 1.0204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1288 1.0204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7788 2.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7788 2.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9088 1.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9088 1.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9464 -1.9662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9464 -1.9662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6294 -2.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6294 -2.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9088 -1.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9088 -1.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2870 0.1483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2870 0.1483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5725 -0.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5725 -0.2642 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 2 0 0 0 0 | + | 8 9 2 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 2 0 0 0 0 | + | 7 17 2 0 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 |
| − | 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 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 14 1 0 0 0 0 | + | 26 14 1 0 0 0 0 |
| − | 2 27 1 0 0 0 0 | + | 2 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 31 | + | M SBL 1 1 31 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 31 -6.2016 3.2037 | + | M SBV 1 31 -6.2016 3.2037 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA2CNP0001 | + | ID FLIA2CNP0001 |
| − | KNApSAcK_ID C00009441 | + | KNApSAcK_ID C00009441 |
| − | NAME Durmillone | + | NAME Durmillone |
| − | CAS_RN 7731-09-1 | + | CAS_RN 7731-09-1 |
| − | FORMULA C22H18O6 | + | FORMULA C22H18O6 |
| − | EXACTMASS 378.110338308 | + | EXACTMASS 378.110338308 |
| − | AVERAGEMASS 378.37472 | + | AVERAGEMASS 378.37472 |
| − | SMILES c(O5)(c1OC5)cc(C(=C4)C(c(c(O4)3)cc(OC)c(c32)OC(C=C2)(C)C)=O)cc1 | + | SMILES c(O5)(c1OC5)cc(C(=C4)C(c(c(O4)3)cc(OC)c(c32)OC(C=C2)(C)C)=O)cc1 |
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 32 0 0 0 0 0 0 0 0999 V2000
-1.5725 0.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5725 0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0162 -0.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4599 0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4599 0.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0162 1.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0964 -0.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6527 0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6527 0.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0964 1.0204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2088 -0.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2088 -0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8036 -1.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3984 -0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3984 -0.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8036 0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0964 -0.9065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0162 1.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5725 1.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1288 1.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1288 1.0204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7788 2.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9088 1.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9464 -1.9662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6294 -2.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9088 -1.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2870 0.1483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5725 -0.2642 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 2 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 2 0 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
13 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 14 1 0 0 0 0
2 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 31
M SMT 1 ^OCH3
M SBV 1 31 -6.2016 3.2037
S SKP 8
ID FLIA2CNP0001
KNApSAcK_ID C00009441
NAME Durmillone
CAS_RN 7731-09-1
FORMULA C22H18O6
EXACTMASS 378.110338308
AVERAGEMASS 378.37472
SMILES c(O5)(c1OC5)cc(C(=C4)C(c(c(O4)3)cc(OC)c(c32)OC(C=C2)(C)C)=O)cc1
M END
